SCHEMBL4876438

SCHEMBL4876438

CN(C)c1cccc(Oc2c[nH]nc2-c2cc(Br)c(O)cc2O)c1.Oc1ccc(-c2n[nH]cc2Sc2ccc(F)cc2)c(O)c1

nearest known ligand 0.32

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
HTT P42858 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
APP P05067 1/20 0.31
ALOX12 P18054 1/20 0.31
HIF1A Q16665 1/20 0.31
GPR55 Q9Y2T6 1/20 0.31
F2 P00734 1/20 0.31
F10 P00742 1/20 0.31
NOD2 Q9HC29 1/20 0.30
NOD1 Q9Y239 1/20 0.30

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
SCHEMBL4884695 0.83 F10 (0.38) MEN1LMNAMAPTKMT2AALDH1A1
SCHEMBL4871716 0.81 MAPT (0.44) MEN1LMNAMAPTHTTKMT2A
SCHEMBL4880250 0.75 MAOA (0.40) MEN1LMNAMAPTHTTKMT2A
SCHEMBL4882081 0.73 HSP90AA1 (0.42) MEN1LMNAMAPTKMT2AALDH1A1
SCHEMBL4882006 0.72 MAPT (0.44) MEN1LMNAMAPTHTTKMT2A
SCHEMBL4873458 0.71 MAPT (0.45) MEN1LMNAMAPTHTTKMT2A
SCHEMBL4883680 0.70 HSP90AA1 (0.42) MEN1LMNAMAPTHTTKMT2A
SCHEMBL4883681 0.68 SLC6A4 (0.38) LMNA
SCHEMBL4884200 0.68 MAPT (0.49) MEN1LMNAMAPTHTTKMT2A
SCHEMBL4880403 0.68 HSP90AA1 (0.38) MEN1LMNAMAPTKMT2AALDH1A1

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 1 patent. 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

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 4568/4885LMNA 4229/4885MAPT 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.