SCHEMBL4877245

SCHEMBL4877245

CC(=O)Nc1cccc(Oc2c[nH]nc2-c2ccc(O)cc2O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
CYP1A2 P05177 1/20 0.46
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
HTT P42858 4/20 0.43
HSD17B10 Q99714 3/20 0.43
MAPT P10636 3/20 0.43
HPGD P15428 2/20 0.43
TSHR P16473 2/20 0.43
TP53 P04637 2/20 0.43
MAPK1 P28482 2/20 0.43
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDR P35968 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
FGFR1 P11362 1/20 0.41
LMNA P02545 3/20 0.41

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
SCHEMBL4881640 0.89 F10 (0.39) ALDH1A1MEN1KMT2AHTTHSD17B10
SCHEMBL4879575 0.88 AMY1A (0.47) ALDH1A1MEN1KMT2AHTTHSD17B10
SCHEMBL4884184 0.82 BRD4 (0.41) ALDH1A1MEN1KMT2AHTTHSD17B10
SCHEMBL4879392 0.81 L3MBTL1 (0.45) ALDH1A1MEN1KMT2AHTTHSD17B10
SCHEMBL4884397 0.81 AMY1A (0.48) ALDH1A1MEN1KMT2AHTTHSD17B10
SCHEMBL4884200 0.80 MAPT (0.49) ALDH1A1MEN1KMT2AHTTHSD17B10
SCHEMBL4890060 0.78 MAPT (0.58) ALDH1A1MEN1KMT2AHTTHSD17B10
SCHEMBL4881151 0.78 MAPT (0.44) ALDH1A1MEN1KMT2AHTTHSD17B10
SCHEMBL4882006 0.78 MAPT (0.44) ALDH1A1MEN1KMT2AHTTHSD17B10
SCHEMBL4881095 0.78 MAPT (0.44) ALDH1A1CYP1A2MEN1KMT2AHTT

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 8 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-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 ALDH1A1 1963/4885CYP1A2 588/4885MEN1 4568/4885

“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.