SCHEMBL8974919

SCHEMBL8974919

[C-]#[N+]c1cc(C)ccc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 4/20 0.38
CYP2A6 P11509 4/20 0.38
TP53 P04637 2/20 0.37
TAAR1 Q96RJ0 1/20 0.35
HSD17B10 Q99714 2/20 0.34
GAA P10253 2/20 0.34
RAPGEF4 Q8WZA2 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
ACHE P22303 3/20 0.33
CYP3A4 P08684 1/20 0.33
THRB P10828 1/20 0.33
ALOX15 P16050 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TRPA1 O75762 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL29807846 1.00 TDP1 (0.42) TDP1ALDH1A1CYP1A2CYP2A6TP53
SCHEMBL3239472 0.84 ALDH1A1 (0.32) TDP1ALDH1A1
SCHEMBL10526514 0.82 CYP2A6 (0.39) TDP1ALDH1A1CYP1A2CYP2A6TP53
SCHEMBL985929 0.80 TDP1 (0.42) TDP1ALDH1A1CYP1A2CYP2A6TP53
SCHEMBL29953658 0.80 TDP1 (0.42) TDP1ALDH1A1CYP1A2CYP2A6TP53
SCHEMBL12887731 0.76 CYP1A2 (0.35) TDP1ALDH1A1CYP1A2CYP2A6TP53
SCHEMBL8148931 0.76 CYP3A4 (0.46) ALDH1A1CYP2A6TP53GAARAPGEF4
SCHEMBL12126083 0.76 ALDH1A1 (0.35) ALDH1A1CYP2A6RAPGEF4ALOX15
SCHEMBL12678959 0.76 ALDH1A1 (0.35) TDP1ALDH1A1CYP1A2CYP2A6TP53
SCHEMBL9272564 0.76 ALDH1A1 (0.52) TDP1ALDH1A1CYP2A6HSD17B10GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240217953-A1 BICYCLIC SUBSTITUTED AROMATIC CARBOXYLIC ACID COMPOUNDS CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2024-07-04 US disclosed
US-20230303522-A1 ARYLTETRAHYDROPYRIDAZINE DERIVATIVE OR SALT THEREOF, INSECTICIDAL AGENT CONTAINING THE COMPOUND, AND METHOD OF USE THEREOF NIHON NOHYAKU CO., LTD. (JP) 2023-09-28 US disclosed
US-20230242507-A1 INDAZOLE-FUSED CYCLIC COMPOUND Zhejiang Yangli Pharmaceutical Technology Co., Ltd. (CN) 2023-08-03 US disclosed
US-20180222886-A1 VINYL COMPOUNDS AS FGFR AND VEGFR INHIBITORS Harbin Zhenbao Pharmaceutical Co., Ltd. (CN) 2018-08-09 US disclosed
US-20180021316-A1 CHEMICAL COMPOUNDS ASTRAZENECA PHARMACEUTICALS LP 2018-01-25 US disclosed
US-20170369493-A1 6,7-DIHYDROPYRAZOLO[1,5-a]PYRAZIN-4(5H)-ONE COMPOUNDS AND THEIR USE AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS JANSSEN-CILAG, S.A. (ES) 2017-12-28 US disclosed
US-20140357683-A1 METHODS OF TREATMENT AND COMPOSITIONS WITH XANTHINE OXIDASE INHIBITORS TEIJIN PHARMA LIMITED (JP) 2014-12-04 US disclosed
US-8349839-B2 Inhibitors of HIV replication BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-08 US disclosed
US-8188073-B2 Benzoxazines and related nitrogen-containing heterobicyclic compounds useful as mineralocorticoid receptor modulating agents MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-05-29 US disclosed
US-20110251185-A1 BENZOXAZINES AND RELATED NITROGEN-CONTAINING HETEROBICYCLIC COMPOUNDS USEFUL AS MINERALOCORTICOID RECEPTOR MODULATING AGENTS IIJIMA TORU 2011-10-13 US disclosed
US-20100261714-A1 INHIBITORS OF HIV REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 US disclosed
US-7655688-B2 Treating nuclear hormone receptor-associated conditions such as cancer and immune disorders; (3a alpha ,4 alpha ,7 alpha ,7a alpha )-2-(3-Chloro-4-hydroxyphenyl)hexahydro-4,7-methano-1H-isoindole-1,3(2H)-dione BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-02 US disclosed
US-20090317326-A1 RADIOFLUORINATION METHODS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2009-12-24 US disclosed
US-7517565-B2 Liquid crystal composition and liquid crystal display device CHISSO CORPORATION (JP) 2009-04-14 US disclosed
US-20090023716-A1 Benzoxazines and Related Nitrogen-Containing Heterobicyclic Compounds Useful as Mineralocorticoid Receptor Modulating Agents MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-01-22 US disclosed
US-20090018104-A1 Triarylcarboxylic Acid Derivative ASTELLAS PHARMA INC. (JP) 2009-01-15 US disclosed
US-7435455-B2 Dihydrocoumarin derivative, liquid crystal composition containing the same, and liquid crystal display device CHISSO CORPORATION (JP) 2008-10-14 US disclosed
US-7425354-B2 Photopolymerizable liquid crystal composition, its polymer or polymer composition, and optical compensation element CHISSO CORPORATION (JP) 2008-09-16 US disclosed
EP-0021221-B1 PROCESS FOR THE DIMERIZATION OF HEXAFLUOROPROPENE OXIDE HOECHST AKTIENGESELLSCHAFT (DE) 1982-11-24 EP disclosed
EP-0021221-A1 Process for the dimerization of hexafluoropropene oxide HOECHST AKTIENGESELLSCHAFT (DE) 1981-01-07 EP 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 (12 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-20230303522-A1 ARYLTETRAHYDROPYRIDAZINE DERIVATIVE OR SALT THEREOF, INSECTICIDAL AGENT CONTAINING THE COMPOUND, AND METHOD OF USE THEREOF CYP4Z1, DDT, AADAC TDP1 2463/4885ALDH1A1 188/4885CYP1A2 115/4885
US-20170369493-A1 6,7-DIHYDROPYRAZOLO[1,5-a]PYRAZIN-4(5H)-ONE COMPOUNDS AND THEIR USE AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS GRM2, GRM5, GRM1 TDP1 4325/4885ALDH1A1 3951/4885CYP1A2 2901/4885
US-20140357683-A1 METHODS OF TREATMENT AND COMPOSITIONS WITH XANTHINE OXIDASE INHIBITORS XDH, PNPO, PNP TDP1 113/4885ALDH1A1 828/4885CYP1A2 219/4885
US-20230242507-A1 INDAZOLE-FUSED CYCLIC COMPOUND SLC5A11, CYP11B2, CYP4F11 TDP1 3563/4885ALDH1A1 1288/4885CYP1A2 157/4885
US-20100261714-A1 INHIBITORS OF HIV REPLICATION RTF2, POLR1A, REV1 TDP1 997/4885ALDH1A1 1624/4885CYP1A2 577/4885
US-20180021316-A1 CHEMICAL COMPOUNDS MKI67, CCNI, TP53 TDP1 2808/4885ALDH1A1 66/4885CYP1A2 124/4885
US-20090023716-A1 Benzoxazines and Related Nitrogen-Containing Heterobicyclic Compounds Useful as Mineralocorticoid Receptor Modulating Agents NR3C2, MC2R, NR3C1 TDP1 4813/4885ALDH1A1 2133/4885CYP1A2 164/4885
US-20090317326-A1 RADIOFLUORINATION METHODS CDC73, TMEM14C, FLI1 TDP1 3683/4885ALDH1A1 382/4885CYP1A2 353/4885
US-20090018104-A1 Triarylcarboxylic Acid Derivative XDH, NLRP3, UACA TDP1 704/4885ALDH1A1 282/4885CYP1A2 234/4885
US-20180222886-A1 VINYL COMPOUNDS AS FGFR AND VEGFR INHIBITORS FGFR1, FLT1, KDR TDP1 1399/4885ALDH1A1 261/4885CYP1A2 420/4885
US-20240217953-A1 BICYCLIC SUBSTITUTED AROMATIC CARBOXYLIC ACID COMPOUNDS C9, CFB, C5 TDP1 4811/4885ALDH1A1 1678/4885CYP1A2 508/4885
US-20110251185-A1 BENZOXAZINES AND RELATED NITROGEN-CONTAINING HETEROBICYCLIC COMPOUNDS USEFUL AS MINERALOCORTICOID RECEPTOR MODULATING AGENTS NR3C2, MC2R, NR3C1 TDP1 4813/4885ALDH1A1 2133/4885CYP1A2 164/4885

“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.