SCHEMBL4885698

SCHEMBL4885698

COc1ccc(-c2n[nH]c(C)c2Oc2ccc([N+](=O)[O-])cc2)c(O)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 14/20 0.69
KMT2A Q03164 14/20 0.69
MAPT P10636 13/20 0.69
ALOX12 P18054 11/20 0.69
LMNA P02545 9/20 0.69
GAA P10253 3/20 0.69
NPSR1 Q6W5P4 8/20 0.64
ALOX15 P16050 5/20 0.64
TP53 P04637 5/20 0.64
USP2 O75604 5/20 0.64
MAPK1 P28482 5/20 0.64
KDM4E B2RXH2 4/20 0.64
XBP1 P17861 2/20 0.64
HSD17B10 Q99714 4/20 0.61
TSHR P16473 3/20 0.61
AMY1A P0DUB6 1/20 0.58
GPR55 Q9Y2T6 3/20 0.58
HTT P42858 3/20 0.58
HIF1A Q16665 1/20 0.58
POLB P06746 3/20 0.52

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
SCHEMBL4883661 0.92 MEN1 (0.71) MEN1KMT2AMAPTALOX12LMNA
SCHEMBL4881114 0.83 MEN1 (0.81) MEN1KMT2AMAPTALOX12LMNA
SCHEMBL4884213 0.82 MEN1 (0.77) MEN1KMT2AMAPTALOX12LMNA
SCHEMBL4879474 0.82 MEN1 (0.77) MEN1KMT2AMAPTALOX12LMNA
SCHEMBL4881413 0.81 MEN1 (0.91) MEN1KMT2AMAPTALOX12LMNA
SCHEMBL4880114 0.81 MEN1 (0.74) MEN1KMT2AMAPTALOX12LMNA
SCHEMBL4880262 0.79 MEN1 (0.72) MEN1KMT2AMAPTALOX12LMNA
SCHEMBL4875821 0.74 MEN1 (0.67) MEN1KMT2AMAPTALOX12LMNA
SCHEMBL4882094 0.74 MEN1 (0.79) MEN1KMT2AMAPTALOX12LMNA
SCHEMBL4881284 0.74 MEN1 (0.79) MEN1KMT2AMAPTALOX12LMNA

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 3 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-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.