SCHEMBL370336

SCHEMBL370336

Cc1cc2c([nH]1)CC(C)(C)CC2=O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 3/20 0.46
HTT P42858 1/20 0.46
RXFP1 Q9HBX9 4/20 0.45
TP53 P04637 2/20 0.45
THRB P10828 2/20 0.45
CYP2C19 P33261 1/20 0.41
BRD4 O60885 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL17372395 0.80 RXFP1 (0.50) TDP1ALDH1A1HTTRXFP1TP53
SCHEMBL7661207 0.77 RXFP1 (0.42) TDP1ALDH1A1HTTRXFP1TP53
SCHEMBL2468516 0.77 RXFP1 (0.42) TDP1ALDH1A1HTTRXFP1TP53
SCHEMBL8283565 0.75 RXFP1 (0.41) TDP1ALDH1A1HTTRXFP1TP53
SCHEMBL4325559 0.74 CYP2C19 (0.45) TDP1ALDH1A1HTTRXFP1TP53
SCHEMBL7671814 0.74 RXFP1 (0.40) TDP1ALDH1A1HTTRXFP1TP53
SCHEMBL7670474 0.73 RXFP1 (0.39) TDP1ALDH1A1HTTRXFP1TP53
SCHEMBL17268379 0.72 PKN1 (0.38) ALDH1A1MAPK1HSD17B10
SCHEMBL4422412 0.72 ALDH1A1 (0.49) ALDH1A1RXFP1TP53THRBHSD17B10
SCHEMBL17371875 0.72 CDC7 (0.65) RXFP1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1904500-A1 NEW DERIVATIVES OF HEPTAAZAPHENALENE, METHODS FOR OBTAINING THEM, AND THEIR USE AS PROTECTING AGENTS AGAINST UV RADIATION ISDIN, S.A. (ES) 2008-04-02 EP claimed
WO-2007006807-A1 NEW DERIVATIVES OF HEPTAAZAPHENALENE, METHODS FOR OBTAINING THEM, AND THEIR USE AS PROTECTING AGENTS AGAINST UV RADIATION ISDIN, S.A. (ES) 2007-01-18 WO claimed
US-20200071308-A1 Benzene, Pyridine, and Pyridazine Derivatives ESANEX INC (US) 2020-03-05 US disclosed
US-20200071308-A1 Benzene, Pyridine, and Pyridazine Derivatives ESANEX INC (US) 2020-03-05 US disclosed
US-20170260174-A1 Benzene, Pyridine, and Pyridazine Derivatives ESANEX INC (US) 2017-09-14 US disclosed
US-20170260174-A1 Benzene, Pyridine, and Pyridazine Derivatives ESANEX INC (US) 2017-09-14 US disclosed
EP-2380879-B1 Tetrahydroindolone and tetrahydroindazolone derivatives ESANEX INC (US) 2017-07-12 EP disclosed
EP-2380879-B1 Tetrahydroindolone and tetrahydroindazolone derivatives ESANEX INC (US) 2017-07-12 EP disclosed
US-9656956-B2 Benzene, pyridine, and pyridazine derivatives ESANEX, INC. (US) 2017-05-23 US disclosed
US-9656956-B2 Benzene, pyridine, and pyridazine derivatives ESANEX, INC. (US) 2017-05-23 US disclosed
US-20150329493-A1 OMEGA-AMINO ACID DERIVATIVES OF BENZENE, PYRIDINE, AND PYRIDAZINE COMPOUNDS HALL STEVEN E (US) 2015-11-19 US disclosed
US-20080096887-A1 cell proliferation, such as cancer, inflammation, and angiogenesis; fungal infections; antimalaria; Heat hock protein 90 (HSP-90) inhibitor SERENEX, INC. 2008-04-24 US disclosed
US-20080096887-A1 cell proliferation, such as cancer, inflammation, and angiogenesis; fungal infections; antimalaria; Heat hock protein 90 (HSP-90) inhibitor SERENEX, INC. 2008-04-24 US disclosed
US-20080096887-A1 cell proliferation, such as cancer, inflammation, and angiogenesis; fungal infections; antimalaria; Heat hock protein 90 (HSP-90) inhibitor SERENEX, INC. 2008-04-24 US disclosed
US-7358370-B2 Anticancer, inflammation, arthritis, angiogenesis, neurodegenerative diseases, fungal infections, malaria; Heat-shock protein 90 inhibitors; 4-(6,6-Dimethyl-4-oxo-3-methyl-4,5,6,7-tetrahydro-indazol-1-yl)-2-(3,4,5-trimethoxyanilino)-benzamide SERENEX, INC. (US) 2008-04-15 US disclosed
US-7358370-B2 Anticancer, inflammation, arthritis, angiogenesis, neurodegenerative diseases, fungal infections, malaria; Heat-shock protein 90 inhibitors; 4-(6,6-Dimethyl-4-oxo-3-methyl-4,5,6,7-tetrahydro-indazol-1-yl)-2-(3,4,5-trimethoxyanilino)-benzamide SERENEX, INC. (US) 2008-04-15 US disclosed
US-7358370-B2 Anticancer, inflammation, arthritis, angiogenesis, neurodegenerative diseases, fungal infections, malaria; Heat-shock protein 90 inhibitors; 4-(6,6-Dimethyl-4-oxo-3-methyl-4,5,6,7-tetrahydro-indazol-1-yl)-2-(3,4,5-trimethoxyanilino)-benzamide SERENEX, INC. (US) 2008-04-15 US disclosed
EP-1856057-A1 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES Serenex, Inc. (US) 2007-11-21 EP disclosed
US-20060211737-A1 Anticancer, inflammation, arthritis, angiogenesis, neurodegenerative diseases, fungal infections, malaria; Heat-shock protein 90 inhibitors; 4-(6,6-Dimethyl-4-oxo-3-methyl-4,5,6,7-tetrahydro-indazol-1-yl)-2-(3,4,5-trimethoxyanilino)-benzamide ESANEX, INC. 2006-09-21 US disclosed
WO-2006091963-A1 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES SERENEX, INC. (US) 2006-08-31 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 (5 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-20150329493-A1 OMEGA-AMINO ACID DERIVATIVES OF BENZENE, PYRIDINE, AND PYRIDAZINE COMPOUNDS LTB4R, LTB4R2, PTGER4 TDP1 3661/4885ALDH1A1 1248/4885HTT 3536/4885
US-20170260174-A1 Benzene, Pyridine, and Pyridazine Derivatives CDK4, P2RX4, MKI67 TDP1 2662/4885ALDH1A1 1049/4885HTT 3158/4885
US-20080096887-A1 cell proliferation, such as cancer, inflammation, and angiogenesis; fungal infections; antimalaria; Heat hock protein 90 (HSP-90) inhibitor HSP90AA1, HSP90AB1, HSPA4 TDP1 3193/4885ALDH1A1 2373/4885HTT 545/4885
US-20060211737-A1 Anticancer, inflammation, arthritis, angiogenesis, neurodegenerative diseases, fungal infections, malaria; Heat-shock protein 90 inhibitors; 4-(6,6-Dimethyl-4-oxo-3-methyl-4,5,6,7-tetrahydro-indazol-1-yl)-2-(3,4,5-trimethoxyanilino)-benzamide HSF1, HSPA4, HSP90AB1 TDP1 3156/4885ALDH1A1 1756/4885HTT 433/4885
US-20200071308-A1 Benzene, Pyridine, and Pyridazine Derivatives CDK4, P2RX4, MKI67 TDP1 2662/4885ALDH1A1 1049/4885HTT 3158/4885

“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.