SCHEMBL4883433

SCHEMBL4883433

NC(=O)c1ccccc1Oc1c[nH]nc1-c1ccc(O)cc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.43
KMT2A Q03164 5/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 5/20 0.39
LMNA P02545 5/20 0.39
MEN1 O00255 4/20 0.39
ALOX12 P18054 1/20 0.39
HTT P42858 1/20 0.39
HIF1A Q16665 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
AMY1A P0DUB6 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NR1I2 O75469 1/20 0.36
CHRM2 P08172 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL4881251 0.86 CA12 (0.46) KMT2AGAAMAPTLMNAMEN1
SCHEMBL4875802 0.82 KMT2A (0.42) KMT2AGAAMAPTLMNAMEN1
SCHEMBL4881715 0.80 KMT2A (0.48) KMT2AGAAMAPTLMNAMEN1
SCHEMBL4882953 0.80 LMNA (0.44) KMT2AGAAMAPTLMNAMEN1
SCHEMBL4873445 0.80 CAMK2A (0.46) KMT2AGAAMAPTLMNAMEN1
SCHEMBL4875831 0.79 KMT2A (0.46) KMT2AGAAMAPTLMNAMEN1
SCHEMBL4880079 0.79 AMY1A (0.52) KMT2AGAAMAPTLMNAMEN1
SCHEMBL4884184 0.78 BRD4 (0.41) KMT2AGAAMAPTLMNAMEN1
SCHEMBL4890060 0.78 MAPT (0.58) KMT2AGAAMAPTLMNAMEN1
SCHEMBL4883596 0.77 KMT2A (0.40) KMT2AGAAMAPTLMNAMEN1

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 CTNNB1 3920/4885KMT2A 4029/4885GAA 1769/4885

“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.