SCHEMBL4880281

SCHEMBL4880281

COc1ccc(-c2n[nH]cc2Oc2ccccc2F)c(O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 14/20 0.50
KMT2A Q03164 14/20 0.50
MAPT P10636 15/20 0.48
LMNA P02545 11/20 0.48
ALOX12 P18054 8/20 0.48
ALOX15 P16050 5/20 0.48
NPSR1 Q6W5P4 7/20 0.47
KDM4E B2RXH2 2/20 0.47
CASP1 P29466 2/20 0.47
CASP7 P55210 2/20 0.47
SMN1; SMN2 Q16637 4/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
TP53 P04637 5/20 0.43
TSHR P16473 4/20 0.43
ALDH1A1 P00352 4/20 0.43
USP2 O75604 3/20 0.43

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
SCHEMBL4882953 0.87 LMNA (0.44) MEN1KMT2AMAPTLMNAALOX12
SCHEMBL4884599 0.86 KMT2A (0.49) MEN1KMT2AMAPTLMNAALOX12
SCHEMBL4876579 0.85 MAPT (0.52) MEN1KMT2AMAPTLMNAALOX12
SCHEMBL4875821 0.80 MEN1 (0.67) MEN1KMT2AMAPTLMNAALOX12
SCHEMBL4881463 0.79 MEN1 (0.56) MEN1KMT2AMAPTLMNAALOX12
SCHEMBL4880998 0.79 MAPT (0.40) MEN1KMT2AMAPTLMNAALOX12
SCHEMBL28720177 0.78 MAPT (0.61) MEN1KMT2AMAPTLMNAALOX12
SCHEMBL4877833 0.78 HSP90AA1 (0.44) MEN1KMT2AMAPTLMNAALOX15
SCHEMBL4885680 0.77 AMY1A (0.55) MEN1KMT2AMAPTLMNAALOX12
SCHEMBL4882929 0.76 LPAR2 (0.46) 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 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.