SCHEMBL4581492

SCHEMBL4581492

COc1ccc2c(c1)cc(C)n2-c1ccc(C(N)=O)c(Nc2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.54
HSP90AB1 P08238 3/20 0.54
AKR1C3 P42330 14/20 0.52
AKR1C2 P52895 14/20 0.52
PDE4B Q07343 1/20 0.44
GAA P10253 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
SCHEMBL294128 0.80 AKR1C3 (0.78) AKR1C3AKR1C2PDE4B
SCHEMBL4581437 0.80 GAA (0.43) AKR1C3AKR1C2GAA
SCHEMBL4581311 0.71 HSP90AA1 (0.48) HSP90AA1HSP90AB1AKR1C3AKR1C2PDE4B
SCHEMBL293867 0.70 AKR1C3 (1.00) AKR1C3AKR1C2
SCHEMBL1220887 0.70 HSP90AA1 (0.73) HSP90AA1HSP90AB1GAA
SCHEMBL1220266 0.70 HSP90AA1 (0.82) HSP90AA1HSP90AB1GAA
SCHEMBL1218982 0.70 HSP90AA1 (1.00) HSP90AA1HSP90AB1GAA
SCHEMBL295164 0.69 AKR1C3 (0.81) AKR1C3AKR1C2GAA
SCHEMBL846875 0.69 AKR1C3 (0.81) AKR1C3AKR1C2GAA
SCHEMBL1219064 0.69 HSP90AB1 (1.00) HSP90AA1HSP90AB1GAA

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 22 patents — showing the first 20. 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
WO-2008024978-A2 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES SERENEX, INC. (US) 2008-02-28 WO 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
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
US-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-05-22 US 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 3/4885HSP90AB1 1/4885AKR1C3 2072/4885
US-20130289072-A1 NOVEL INDOLE OR INDAZOLE DERIVATIVE OR SALT THEREOF HSP90AB1, HSP90AA1, HSP90AB2P HSP90AA1 2/4885HSP90AB1 1/4885AKR1C3 1262/4885
US-20120108589-A1 AZABICYCLO COMPOUND AND SALT THEREOF HSP90AB1, HSP90AB2P, HSP90AA1 HSP90AA1 3/4885HSP90AB1 1/4885AKR1C3 2072/4885
US-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives MKI67, CCNB1, RB1 HSP90AA1 2260/4885HSP90AB1 1548/4885AKR1C3 516/4885

“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.