SCHEMBL4581642

SCHEMBL4581642

COc1cccc2c1ccn2-c1ccc(C(N)=O)c(NC2CCC(O)CC2)c1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 19/20 0.62
HSP90B1 P14625 2/20 0.52
HSP90AB1 P08238 6/20 0.49
TRAP1 Q12931 1/20 0.42

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
SCHEMBL14177840 1.00 HSP90AA1 (0.62) HSP90AA1HSP90B1HSP90AB1TRAP1
SCHEMBL14197322 0.82 HSP90AA1 (0.43) HSP90AA1HSP90B1
SCHEMBL4581033 0.82 HSP90AA1 (0.43) HSP90AA1HSP90B1
SCHEMBL20117719 0.81 HSP90B1 (0.59) HSP90AA1HSP90B1HSP90AB1
SCHEMBL4581006 0.80 HSP90AA1 (0.52) HSP90AA1HSP90B1HSP90AB1
SCHEMBL14177838 0.80 HSP90AA1 (0.52) HSP90AA1HSP90B1HSP90AB1
SCHEMBL30853535 0.80 HSP90AA1 (0.51) HSP90AA1HSP90B1HSP90AB1
SCHEMBL18177438 0.79 HSP90AA1 (0.43) HSP90AA1HSP90B1HSP90AB1TRAP1
SCHEMBL20117723 0.79 HSP90B1 (0.56) HSP90AA1HSP90B1HSP90AB1
SCHEMBL20117835 0.79 HSP90B1 (0.78) HSP90AA1HSP90B1HSP90AB1

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-05-22 US claimed
EP-2662367-B1 NOVEL INDOLE OR INDAZOLE DERIVATIVE OR SALT THEREOF TAIHO PHARMACEUTICAL CO LTD (JP) 2016-08-17 EP disclosed
US-9273045-B2 Azabicyclo compound and salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2016-03-01 US disclosed
US-9273045-B2 Azabicyclo compound and salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2016-03-01 US disclosed
US-9120780-B2 Indole or indazole derivative or salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2015-09-01 US disclosed
US-9120780-B2 Indole or indazole derivative or salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2015-09-01 US disclosed
US-20140303162-A1 AZABICYCLO COMPOUND AND SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2014-10-09 US disclosed
US-20140303162-A1 AZABICYCLO COMPOUND AND SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2014-10-09 US disclosed
US-8779142-B2 Azabicyclo compound and salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2014-07-15 US disclosed
US-8779142-B2 Azabicyclo compound and salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2014-07-15 US disclosed
EP-2662367-A1 NOVEL INDOLE OR INDAZOLE DERIVATIVE OR SALT THEREOF Taiho Pharmaceutical Co., Ltd. (JP) 2013-11-13 EP disclosed
US-20130289072-A1 NOVEL INDOLE OR INDAZOLE DERIVATIVE OR SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2013-10-31 US disclosed
US-20130289072-A1 NOVEL INDOLE OR INDAZOLE DERIVATIVE OR SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2013-10-31 US disclosed
EP-2452940-A1 AZABICYCLO COMPOUND AND SALT THEREOF Taiho Pharmaceutical Co., Ltd. (JP) 2012-05-16 EP disclosed
US-20120108589-A1 AZABICYCLO COMPOUND AND SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2012-05-03 US disclosed
US-20120108589-A1 AZABICYCLO COMPOUND AND SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2012-05-03 US disclosed
WO-2011004610-A1 AZABICYCLO COMPOUND AND SALT THEREOF 大鵬薬品工業株式会社 (JP) 2011-01-13 WO disclosed
US-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-05-22 US disclosed
WO-2008024978-A2 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES SERENEX, INC. (US) 2008-02-28 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 (4 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-20140303162-A1 AZABICYCLO COMPOUND AND SALT THEREOF HSP90AB1, HSP90AB2P, HSP90AA1 HSP90AA1 3/4885HSP90B1 4/4885HSP90AB1 1/4885
US-20130289072-A1 NOVEL INDOLE OR INDAZOLE DERIVATIVE OR SALT THEREOF HSP90AB1, HSP90AA1, HSP90AB2P HSP90AA1 2/4885HSP90B1 4/4885HSP90AB1 1/4885
US-20120108589-A1 AZABICYCLO COMPOUND AND SALT THEREOF HSP90AB1, HSP90AB2P, HSP90AA1 HSP90AA1 3/4885HSP90B1 4/4885HSP90AB1 1/4885
US-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives MKI67, CCNB1, RB1 HSP90AA1 2260/4885HSP90B1 2483/4885HSP90AB1 1548/4885

“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.