SCHEMBL4881463

SCHEMBL4881463

COc1ccc(-c2n[nH]cc2Oc2ccc(Cl)cc2)c(O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 12/20 0.56
KMT2A Q03164 12/20 0.56
MAPT P10636 11/20 0.56
ALOX12 P18054 8/20 0.56
NPSR1 Q6W5P4 7/20 0.56
KDM4E B2RXH2 3/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CNR1 P21554 1/20 0.56
CYP2C19 P33261 1/20 0.56
CNR2 P34972 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
GPR55 Q9Y2T6 1/20 0.56
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
ALOX15 P16050 4/20 0.49
LMNA P02545 6/20 0.46
TP53 P04637 5/20 0.46

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
SCHEMBL4881522 0.89 MEN1 (0.47) MEN1KMT2AMAPTALOX12NPSR1
SCHEMBL19319704 0.89 NPSR1 (0.47) MEN1KMT2AMAPTALOX12NPSR1
SCHEMBL17714196 0.88 MEN1 (0.43) MEN1KMT2AMAPTALOX12NPSR1
SCHEMBL4876579 0.88 MAPT (0.52) MEN1KMT2AMAPTALOX12NPSR1
SCHEMBL4884599 0.87 KMT2A (0.49) MEN1KMT2AMAPTALOX12NPSR1
SCHEMBL28720177 0.86 MAPT (0.61) MEN1KMT2AMAPTALOX12NPSR1
SCHEMBL4885680 0.85 AMY1A (0.55) MEN1KMT2AMAPTALOX12NPSR1
SCHEMBL19319730 0.84 KMT2A (0.48) MEN1KMT2AMAPTALOX12NPSR1
SCHEMBL4883770 0.83 KMT2A (0.51) MEN1KMT2AMAPTALOX12NPSR1
SCHEMBL19319697 0.81 KMT2A (0.47) MEN1KMT2AMAPTALOX12NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080090880-A1 3-(2-Hydroxyphenyl) Pyrazoles and Thier Use as Hsp90 Modulators MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2008-04-17 US claimed
EP-1799649-A1 3-(2-HYDROXYPHENYL) PYRAZOLES AND THEIR USE AS HSP90 MODULATORS Merck Patent GmbH (DE) 2007-06-27 EP claimed
WO-2006039977-A1 3-(2-HYDROXYPHENYL) PYRAZOLES AND THEIR USE AS HSP90 MODULATORS MERCK PATENT GMBH (DE) 2006-04-20 WO claimed
EP-1799649-B1 3-(2-HYDROXYPHENYL) PYRAZOLES AND THEIR USE AS HSP90 MODULATORS MERCK PATENT GMBH (DE) 2014-06-25 EP disclosed
US-20080090880-A1 3-(2-Hydroxyphenyl) Pyrazoles and Thier Use as Hsp90 Modulators MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2008-04-17 US disclosed
EP-1799649-A1 3-(2-HYDROXYPHENYL) PYRAZOLES AND THEIR USE AS HSP90 MODULATORS Merck Patent GmbH (DE) 2007-06-27 EP disclosed
WO-2006039977-A1 3-(2-HYDROXYPHENYL) PYRAZOLES AND THEIR USE AS HSP90 MODULATORS MERCK PATENT GMBH (DE) 2006-04-20 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 (1 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-20080090880-A1 3-(2-Hydroxyphenyl) Pyrazoles and Thier Use as Hsp90 Modulators HSP90AB1, HSP90AA1, HSP90AB2P MEN1 4568/4885KMT2A 4029/4885MAPT 2220/4885

“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.