SCHEMBL4883543

SCHEMBL4883543

CCc1ccc(Oc2c[nH]nc2-c2cc(Br)c(O)cc2O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 5/20 0.42
ALOX12 P18054 4/20 0.36
MEN1 O00255 4/20 0.36
GAA P10253 4/20 0.36
MAPT P10636 4/20 0.36
KMT2A Q03164 4/20 0.36
NPSR1 Q6W5P4 4/20 0.36
HPGD P15428 2/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
ALOX15 P16050 4/20 0.36
USP2 O75604 3/20 0.36
LMNA P02545 3/20 0.36
HTT P42858 3/20 0.36
HSD17B10 Q99714 3/20 0.36
MAPK1 P28482 2/20 0.36
XBP1 P17861 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ICAM1 P05362 1/20 0.33

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
SCHEMBL4880403 0.87 HSP90AA1 (0.38) HSP90AA1ALOX12MEN1MAPTKMT2A
SCHEMBL4881040 0.84 HSP90AA1 (0.42) HSP90AA1ALOX12MEN1GAAMAPT
SCHEMBL4882081 0.84 HSP90AA1 (0.42) HSP90AA1ALOX12MEN1GAAMAPT
SCHEMBL4881203 0.82 MAPT (0.50) HSP90AA1ALOX12MEN1GAAMAPT
SCHEMBL4879457 0.81 HSP90AA1 (0.46) HSP90AA1ALOX12MEN1GAAMAPT
SCHEMBL4881093 0.81 HSP90AA1 (0.44) HSP90AA1MAPTNPSR1HPGDALDH1A1
SCHEMBL4881498 0.81 CYP11B1 (0.43) HSP90AA1MEN1MAPTKMT2APOLB
SCHEMBL4881255 0.80 HSP90AA1 (0.37) HSP90AA1ALOX12MEN1GAAMAPT
SCHEMBL4883680 0.78 HSP90AA1 (0.42) HSP90AA1ALOX12MEN1GAAMAPT
SCHEMBL19319698 0.77 MAPK1 (0.46) ALOX12MEN1GAAMAPTKMT2A

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 6 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-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 HSP90AA1 2/4885ALOX12 4239/4885MEN1 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.