SCHEMBL4879645

SCHEMBL4879645

Cc1[nH]nc(-c2ccc(O)cc2O)c1Oc1ccccc1F

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 11/20 0.70
KMT2A Q03164 11/20 0.70
MAPT P10636 10/20 0.70
LMNA P02545 7/20 0.70
ALOX12 P18054 7/20 0.70
GPR55 Q9Y2T6 4/20 0.70
HTT P42858 2/20 0.70
HIF1A Q16665 1/20 0.70
GAA P10253 2/20 0.61
CYP1A2 P05177 3/20 0.60
CYP3A4 P08684 3/20 0.60
CYP2D6 P10635 3/20 0.60
CYP2C9 P11712 3/20 0.60
CYP2C19 P33261 3/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
LPAR2 Q9HBW0 4/20 0.59
NPSR1 Q6W5P4 4/20 0.58
TP53 P04637 3/20 0.58
AMY1A P0DUB6 1/20 0.57
ALOX15 P16050 4/20 0.55

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
SCHEMBL4875821 0.90 MEN1 (0.67) MEN1KMT2AMAPTLMNAALOX12
SCHEMBL4877166 0.85 MEN1 (0.70) MEN1KMT2AMAPTLMNAALOX12
SCHEMBL4871745 0.82 MEN1 (0.79) MEN1KMT2AMAPTLMNAALOX12
SCHEMBL4884164 0.82 MEN1 (1.00) MEN1KMT2AMAPTLMNAALOX12
SCHEMBL4879900 0.81 HSP90AA1 (0.56) MEN1KMT2AMAPTLMNAALOX12
SCHEMBL17156374 0.77 TTR (0.46) MEN1KMT2AMAPTLMNAALOX12
SCHEMBL4883665 0.77 LPAR2 (0.72) MEN1KMT2AMAPTLMNAALOX12
SCHEMBL4882953 0.77 LMNA (0.44) MEN1KMT2AMAPTLMNAALOX12
SCHEMBL19319703 0.77 MEN1 (1.00) MEN1KMT2AMAPTLMNAALOX12
SCHEMBL4879778 0.76 MEN1 (0.82) MEN1KMT2AMAPTLMNAALOX12

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 5 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

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.