SCHEMBL6065091

SCHEMBL6065091

[C-]#[N+]c1ccc(C)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
TDP1 Q9NUW8 2/20 0.33
TSHR P16473 2/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
LMNA P02545 1/20 0.33
ACHE P22303 1/20 0.32
HTT P42858 2/20 0.31
DHFR P00374 1/20 0.31
HPGD P15428 1/20 0.31
POLB P06746 1/20 0.30
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL29353234 1.00 ALDH1A1 (0.40) ALDH1A1TDP1TSHRPRSS1PRSS2
SCHEMBL8921670 0.78 CYP3A4 (0.46) ALDH1A1SMN1; SMN2
SCHEMBL12887727 0.78 CD44 (0.34) TSHRPOLBSMN1; SMN2
SCHEMBL12038096 0.78
SCHEMBL10053219 0.78 ALDH1A1 (0.37) ALDH1A1TSHR
SCHEMBL29951899 0.78 HDAC1 (0.37) TSHRACHEHTT
SCHEMBL29954363 0.78 CYP3A4 (0.46) ALDH1A1SMN1; SMN2
SCHEMBL1642304 0.78 ACHE (0.37) TSHRACHESMN1; SMN2
SCHEMBL9289476 0.78 CYP3A4 (0.50) ALDH1A1TDP1TSHRDHFRSMN1; SMN2
SCHEMBL12383641 0.78 ALDH1A1 (0.37) ALDH1A1TSHRHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230242562-A1 Compound of Formula (I), a Semiconductor Material Comprising at Least One Compound of Formula (I), a Semiconductor Layer Comprising at Least One Compound of Formula (I) and an Electronic Device Comprising at Least One Compound of Formula (I) NOVALED GMBH (DE) 2023-08-03 US disclosed
US-20230159508-A1 INHIBITORS OF RECEPTOR INTERACTING PROTEIN KINASE I FOR THE TREATMENT OF DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2023-05-25 US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-9777018-B2 Compounds as modulators of GPR-119 RHIZEN PHARMACEUTICALS SA (CH) 2017-10-03 US disclosed
US-9643952-B2 Pyridone compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2017-05-09 US disclosed
US-20150361092-A1 NOVEL COMPOUNDS AS MODULATORS OF GPR-119 RHIZEN PHARMACEUTICALS SA (CH) 2015-12-17 US disclosed
US-9181280-B2 Factor VIIa inhibitor PHARMACYCLICS LLC (US) 2015-11-10 US disclosed
US-20150315172-A1 PYRIDONE COMPOUND KYOWA KIRIN CO., LTD. (JP) 2015-11-05 US disclosed
US-9162986-B2 2-(2-hydroxybiphenyl-3-yl)-1H-benzoimidazole-5-carboxamidine derivatives as factor VIIA inhibitors PHARMACYCLICS LLC (US) 2015-10-20 US disclosed
US-8975405-B2 Indenopyridine derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-03-10 US disclosed
US-7759390-B2 chemokine receptor 9(CCR9) antagonists such as, 5-Chloro-thiophene-2-sulfonic acid (4-cyano-2-methyl-phenyl)-amide, used for treating autimmune and inflammatory diseases, transplantat rejection and cancer NOVARTIS AG (CH) 2010-07-20 US disclosed
US-20100060834-A1 COPOLYIMIDE, LIQUID CRYSTAL ALIGNING LAYER COMPRISING THE SAME , AND LIQUID CRYSTAL DISPLAY COMPRISING THE SAME LG CHEM, LTD. (KR) 2010-03-11 US disclosed
US-20090054432-A1 2-(2-Hydroxybiphenyl-3-yl)-1H-Benzoimidazole-5-Carboxamidine Derivatives as Factor VIIA Inhibitors PHARMACYLICS, INC. A DELAWARE CORPORATION (US) 2009-02-26 US disclosed
US-7479502-B2 2-(2-hydroxybiphenyl-3-yl)-1H-benzoimidazole-5-carboxamidine derivatives as factor VIIA inhibitors PHARMACYCLICS, INC. (US) 2009-01-20 US disclosed
US-20080300295-A1 Inhibitors of Ccr9 Activity NOVARTIS AG (CH) 2008-12-04 US disclosed
US-7449493-B2 Diamines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMACEUTICAL COMPANY (US) 2008-11-11 US disclosed
US-20080275114-A1 Inhibitors of Ccr9 Activity NOVARTIS AG (CH) 2008-11-06 US disclosed
US-20080275250-A1 Factor Viia Inhibitor PHARMACYCLICS, INC. (US) 2008-11-06 US disclosed
EP-1697296-A2 COPPER (I) FORMATE COMPLEXES BASF AKTIENGESELLSCHAFT (DE) 2006-09-06 EP disclosed
WO-2005058789-A2 COPPER (I) FORMATE COMPLEXES BASF AKTIENGESELLSCHAFT (DE) 2005-06-30 WO 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 (8 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-20150361092-A1 NOVEL COMPOUNDS AS MODULATORS OF GPR-119 GPR119, GPR39, GPBAR1 ALDH1A1 2322/4885TDP1 4702/4885TSHR 816/4885
US-20080300295-A1 Inhibitors of Ccr9 Activity CCR9, CCR1, CCR4 ALDH1A1 1383/4885TDP1 1280/4885TSHR 1137/4885
US-20230159508-A1 INHIBITORS OF RECEPTOR INTERACTING PROTEIN KINASE I FOR THE TREATMENT OF DISEASE RIPK1, RIPK2, RIPK4 ALDH1A1 4554/4885TDP1 956/4885TSHR 2948/4885
US-20080275114-A1 Inhibitors of Ccr9 Activity CCR9, CCR1, CCR4 ALDH1A1 1165/4885TDP1 2269/4885TSHR 3036/4885
US-20150315172-A1 PYRIDONE COMPOUND HRH4, HRH3, HRH1 ALDH1A1 443/4885TDP1 2026/4885TSHR 1516/4885
US-20230242562-A1 Compound of Formula (I), a Semiconductor Material Comprising at Least One Compound of Formula (I), a Semiconductor Layer Comprising at Least One Compound of Formula (I) and an Electronic Device Comprising at Least One Compound of Formula (I) AFF4, AFF1, AFF2 ALDH1A1 722/4885TDP1 4680/4885TSHR 2675/4885
US-20090054432-A1 2-(2-Hydroxybiphenyl-3-yl)-1H-Benzoimidazole-5-Carboxamidine Derivatives as Factor VIIA Inhibitors F13B, HABP2, F7 ALDH1A1 2997/4885TDP1 2108/4885TSHR 2584/4885
US-20080275250-A1 Factor Viia Inhibitor F7, F9, F5 ALDH1A1 3376/4885TDP1 1967/4885TSHR 2334/4885

“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.