SCHEMBL1754079

SCHEMBL1754079

[C-]#[N+]c1cccc(C(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 5/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ KIF11 P52732 3/20 0.41
▸ ACHE P22303 3/20 0.39
▸ RXRA P19793 1/20 0.37
▸ RXRB P28702 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ PLA2G1B P04054 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ CASP3 P42574 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34
▸ SENP8 Q96LD8 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL324927 0.78 TSHR (0.48) ALDH1A1TDP1GAAMAPTCA1
SCHEMBL29957599 0.78 TSHR (0.48) ALDH1A1TDP1GAAMAPTCA1
SCHEMBL31387651 0.78 HDAC8 (0.42) HDAC8HDAC4HDAC2KIF11ACHE
SCHEMBL13316004 0.77 GABRA1 (0.46) RXRARXRBALDH1A1HPGDALOX15
SCHEMBL7529351 0.75 DHFR (0.34) —
SCHEMBL129151 0.75 HDAC8 (0.56) HDAC8HDAC4HDAC2KIF11ACHE
Water SCHEMBL29289408 0.73 HDAC8 (0.54) HDAC8HDAC4HDAC2KIF11ACHE
SCHEMBL4402383 0.72 TSHR (0.48) KIF11ACHEALDH1A1HPGDALOX15
SCHEMBL1641881 0.70 — —
SCHEMBL29956190 0.70 — —

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 115 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12048240-B2 Organic compound, electronic component and electronic apparatus comprising the same SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2024-07-23 — — US disclosed
US-20240228504-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2024-07-11 — — US disclosed
US-12030904-B2 Phospholipid compounds and uses thereof GILEAD SCIENCES, INC. (US) 2024-07-09 — — US disclosed
US-20240025932-A1 PHOSPHOLIPID COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2024-01-25 — — US disclosed
US-11873311-B2 Heterocyclic compound, organic electroluminescent device, and electronic device SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2024-01-16 — — US disclosed
US-11807624-B2 Substituted pyrimidinones as agonists of the APJ receptor AMGEN INC. (US) 2023-11-07 — — US disclosed
US-20230348475-A1 IMIDAZOPYRIDAZINE AND IMIDAZOPYRAZINE COMPOUNDS AS INHIBITORS OF CDK7 TRANSLATIONAL GENOMICS RES INST (US) 2023-11-02 — — US disclosed
US-11773122-B2 Phospholipid compounds and uses thereof GILEAD SCIENCES. INC. (US) 2023-10-03 — — US disclosed
US-20230295115-A1 SUBSTITUTED ISOQUINOLINYLMETHYL AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (CA) 2023-09-21 — — US disclosed
US-11746093-B2 Nitrogen-containing compound, electronic element, and electronic device SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-09-05 — — US disclosed
US-20090291945-A1 CYSTEINE PROTEASE INHIBITORS TEIJIN PHARMA LIMITED (JP) 2009-11-26 — — US disclosed
US-7514435-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-07 — — US disclosed
US-7498441-B2 Biaryltetrahydroisoquinoline piperidines as selective MCH receptor antagonists for the treatment of obesity and related disorders SCHERING CORPORATION (US) 2009-03-03 — — US disclosed
US-20090023783-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS ZHANG CHENGZHI 2009-01-22 — — US disclosed
US-20080261972-A1 Cgrp Receptor Antagonists MERCK SHARP & DOHME LLC 2008-10-23 — — US disclosed
US-7420066-B2 Benzofuran derivatives useful for treating hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2008-09-02 — — US disclosed
US-20070203183-A1 Diaryl piperidines as CB1 modulators SCHERING CORPORATION 2007-08-30 — — US disclosed
US-20070149534-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-28 — — US disclosed
US-20070142384-A1 Compounds, pharmaceutical compositions and methods for use in treating metabolic disorders AMGEN INC. (US) 2007-06-21 — — US disclosed
US-7217712-B2 4-Substituted-5-cyano-1H-pyrimidin-6-(thi)ones as GSK-3 inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-05-15 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (16 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11746093-B2 Nitrogen-containing compound, electronic element, and electronic device SLC43A1, SLC7A5, L1CAM HDAC8 4767/4885HDAC4 4499/4885HDAC2 3972/4885
US-20070203183-A1 Diaryl piperidines as CB1 modulators CNR1, CNR2, GPR119 HDAC8 1986/4885HDAC4 1217/4885HDAC2 1015/4885
US-12048240-B2 Organic compound, electronic component and electronic apparatus comprising the same PIEZO1, OCIAD1, OSTC HDAC8 4350/4885HDAC4 4159/4885HDAC2 2353/4885
US-20090291945-A1 CYSTEINE PROTEASE INHIBITORS CTSE, SPINT2, CTSF HDAC8 3232/4885HDAC4 1184/4885HDAC2 1610/4885
US-12030904-B2 Phospholipid compounds and uses thereof PHOSPHO1, SGMS2, SGMS1 HDAC8 1893/4885HDAC4 1713/4885HDAC2 2115/4885
US-20230348475-A1 IMIDAZOPYRIDAZINE AND IMIDAZOPYRAZINE COMPOUNDS AS INHIBITORS OF CDK7 CDK7, CDK8, CDKL4 HDAC8 61/4885HDAC4 63/4885HDAC2 206/4885
US-20080261972-A1 Cgrp Receptor Antagonists BDKRB1, CALCRL, NPY1R HDAC8 2248/4885HDAC4 2783/4885HDAC2 1735/4885
US-20240228504-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME SLC10A1, NR1H4, SLC10A2 HDAC8 357/4885HDAC4 345/4885HDAC2 1378/4885
US-20230295115-A1 SUBSTITUTED ISOQUINOLINYLMETHYL AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME HCCS, HAVCR2, HDGF HDAC8 233/4885HDAC4 493/4885HDAC2 705/4885
US-20090023783-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS PCNA, MKI67, CDK4 HDAC8 1478/4885HDAC4 1088/4885HDAC2 1925/4885
US-20070142384-A1 Compounds, pharmaceutical compositions and methods for use in treating metabolic disorders PNLIP, IAPP, GPR119 HDAC8 4686/4885HDAC4 3721/4885HDAC2 2189/4885
US-20070149534-A1 PYRROLOTRIAZINE KINASE INHIBITORS NTRK2, NTRK3, NTRK1 HDAC8 1846/4885HDAC4 2234/4885HDAC2 1594/4885
US-20240025932-A1 PHOSPHOLIPID COMPOUNDS AND USES THEREOF PHOSPHO1, SGMS2, SGMS1 HDAC8 1893/4885HDAC4 1713/4885HDAC2 2115/4885
US-11773122-B2 Phospholipid compounds and uses thereof PHOSPHO1, SGMS2, SGMS1 HDAC8 1893/4885HDAC4 1713/4885HDAC2 2115/4885
US-11873311-B2 Heterocyclic compound, organic electroluminescent device, and electronic device ODC1, LEF1, PIEZO1 HDAC8 2561/4885HDAC4 2408/4885HDAC2 909/4885
US-11807624-B2 Substituted pyrimidinones as agonists of the APJ receptor APLNR, AGTR1, AGTR2 HDAC8 3907/4885HDAC4 4801/4885HDAC2 4648/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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