SCHEMBL1219381

SCHEMBL1219381

Cc1cc2c(n1-c1ccc(C(=O)O)c(C(=O)O)c1)CC(C)(C)CC2=O

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.67
KMT2A Q03164 3/20 0.67
MEN1 O00255 2/20 0.67
TP53 P04637 1/20 0.64
HSP90AB1 P08238 4/20 0.63
HSP90AA1 P07900 3/20 0.63
KDM4E B2RXH2 3/20 0.50
HSD17B10 Q99714 2/20 0.50
THRB P10828 1/20 0.50
GAA P10253 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.46
HPGD P15428 1/20 0.46
HIF1A Q16665 1/20 0.45
TSHR P16473 1/20 0.44

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
SCHEMBL1220705 0.90 KMT2A (0.67) ALDH1A1KMT2AMEN1TP53HSP90AB1
SCHEMBL1220865 0.87 HSP90AA1 (0.71) ALDH1A1KMT2AMEN1TP53HSP90AB1
SCHEMBL15714686 0.85 KMT2A (0.70) ALDH1A1KMT2AMEN1TP53HSP90AB1
SCHEMBL1219007 0.83 KMT2A (0.72) ALDH1A1KMT2AMEN1TP53HSP90AB1
SCHEMBL1220537 0.82 HSP90AA1 (0.68) ALDH1A1KMT2AMEN1TP53HSP90AB1
SCHEMBL15714687 0.82 ALDH1A1 (0.62) ALDH1A1KMT2AMEN1TP53HSP90AB1
SCHEMBL1219379 0.81 HSP90AA1 (0.67) ALDH1A1KMT2AMEN1TP53HSP90AB1
SCHEMBL1220975 0.81 HSP90AA1 (0.67) ALDH1A1KMT2AMEN1TP53HSP90AB1
SCHEMBL1219157 0.80 HSP90AA1 (0.65) ALDH1A1KMT2AMEN1TP53HSP90AB1
SCHEMBL1221036 0.80 HSP90AB1 (0.73) ALDH1A1KMT2AMEN1TP53HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200071308-A1 Benzene, Pyridine, and Pyridazine Derivatives ESANEX INC (US) 2020-03-05 US claimed
US-20170260174-A1 Benzene, Pyridine, and Pyridazine Derivatives ESANEX INC (US) 2017-09-14 US claimed
US-20140343037-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES SERENEX, INC. 2014-11-20 US claimed
US-20130137686-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES SERENEX, INC. 2013-05-30 US claimed
EP-2380879-A1 Tetrahydroindolone and tetrahydroindazolone derivatives Serenex, Inc. (US) 2011-10-26 EP claimed
US-20110252835-A1 HEAT PUMP (SERVER) COUPLED WASHER AND DRYER PAIR WHIRLPOOL CORPORATION (US) 2011-10-20 US claimed
US-20110183977-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES SERENEX, INC. (US) 2011-07-28 US claimed
JP-4377942-B2 2009-12-02 JP claimed
US-20090163493-A9 cell proliferation, such as cancer, inflammation, and angiogenesis; fungal infections; antimalaria; Heat hock protein 90 (HSP-90) inhibitor SERENEX, INC. 2009-06-25 US claimed
JP-2008531599-A 2008-08-14 JP claimed
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 claimed
EP-1856057-A1 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES Serenex, Inc. (US) 2007-11-21 EP claimed
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 claimed
WO-2006091963-A1 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES SERENEX, INC. (US) 2006-08-31 WO claimed
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
EP-2380879-B1 Tetrahydroindolone and tetrahydroindazolone derivatives ESANEX INC (US) 2017-07-12 EP 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-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

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-20130137686-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES CDK4, P2RX4, MKI67 ALDH1A1 1049/4885KMT2A 3443/4885MEN1 3035/4885
US-20090163493-A9 cell proliferation, such as cancer, inflammation, and angiogenesis; fungal infections; antimalaria; Heat hock protein 90 (HSP-90) inhibitor HSP90AA1, HSP90AB1, HSPA4 ALDH1A1 2373/4885KMT2A 4225/4885MEN1 2712/4885
US-20170260174-A1 Benzene, Pyridine, and Pyridazine Derivatives CDK4, P2RX4, MKI67 ALDH1A1 1049/4885KMT2A 3443/4885MEN1 3035/4885
US-20080096887-A1 cell proliferation, such as cancer, inflammation, and angiogenesis; fungal infections; antimalaria; Heat hock protein 90 (HSP-90) inhibitor HSP90AA1, HSP90AB1, HSPA4 ALDH1A1 2373/4885KMT2A 4225/4885MEN1 2712/4885
US-20140343037-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES CDK4, P2RX4, MKI67 ALDH1A1 1049/4885KMT2A 3443/4885MEN1 3035/4885
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 ALDH1A1 1756/4885KMT2A 2023/4885MEN1 2082/4885
US-20200071308-A1 Benzene, Pyridine, and Pyridazine Derivatives CDK4, P2RX4, MKI67 ALDH1A1 1049/4885KMT2A 3443/4885MEN1 3035/4885
US-20110183977-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES CDK4, P2RX4, MKI67 ALDH1A1 1049/4885KMT2A 3443/4885MEN1 3035/4885

“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.