SCHEMBL4880079

SCHEMBL4880079

NC(=O)c1ccc(Oc2c[nH]nc2-c2ccc(O)cc2O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 1/20 0.52
PARP10 Q53GL7 9/20 0.50
KMT2A Q03164 5/20 0.44
PARP15 Q460N3 3/20 0.44
ALDH1A1 P00352 2/20 0.44
PARP14 Q460N5 2/20 0.44
PARP16 Q8N5Y8 1/20 0.44
PARP11 Q9NR21 1/20 0.44
PARP4 Q9UKK3 1/20 0.44
MEN1 O00255 4/20 0.43
ALOX12 P18054 4/20 0.43
USP2 O75604 1/20 0.43
POLB P06746 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPT P10636 5/20 0.43
GAA P10253 4/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 3/20 0.42
HTT P42858 2/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL4882983 0.85 AMY1A (0.53) AMY1AKMT2AALDH1A1MEN1ALOX12
SCHEMBL4875841 0.84 MAPT (0.45) AMY1AKMT2AALDH1A1MEN1ALOX12
SCHEMBL28720177 0.82 MAPT (0.61) AMY1AKMT2AALDH1A1MEN1ALOX12
SCHEMBL4873458 0.82 MAPT (0.45) AMY1AKMT2AMEN1ALOX12USP2
SCHEMBL4884614 0.82 GPR55 (0.47) AMY1AKMT2AALDH1A1MEN1ALOX12
SCHEMBL4881522 0.82 MEN1 (0.47) AMY1AKMT2AMEN1ALOX12USP2
SCHEMBL4883601 0.82 MEN1 (0.51) AMY1AKMT2AALDH1A1MEN1ALOX12
SCHEMBL4890060 0.81 MAPT (0.58) AMY1AKMT2AALDH1A1MEN1ALOX12
SCHEMBL4885680 0.80 AMY1A (0.55) AMY1AKMT2AALDH1A1MEN1ALOX12
SCHEMBL4879575 0.80 AMY1A (0.47) AMY1AKMT2AALDH1A1MEN1ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1799649-B1 3-(2-HYDROXYPHENYL) PYRAZOLES AND THEIR USE AS HSP90 MODULATORS MERCK PATENT GMBH (DE) 2014-06-25 EP claimed
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-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 AMY1A 3055/4885PARP10 2164/4885KMT2A 4029/4885

“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.