SCHEMBL4876579

SCHEMBL4876579

COc1ccc(-c2n[nH]cc2Oc2ccccc2)c(O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 16/20 0.52
MEN1 O00255 14/20 0.51
KMT2A Q03164 14/20 0.51
TSHR P16473 7/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
ALOX12 P18054 8/20 0.50
LMNA P02545 7/20 0.50
ALOX15 P16050 6/20 0.50
MAPK1 P28482 5/20 0.50
TP53 P04637 4/20 0.50
NPSR1 Q6W5P4 4/20 0.50
USP2 O75604 3/20 0.50
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HTT P42858 4/20 0.48
NCOA1 Q15788 1/20 0.48
NCOA3 Q9Y6Q9 1/20 0.48

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
SCHEMBL4885680 0.88 AMY1A (0.55) MAPTMEN1KMT2ATSHRNPC1
SCHEMBL4881463 0.88 MEN1 (0.56) MAPTMEN1KMT2ATSHRNPC1
SCHEMBL4884599 0.88 KMT2A (0.49) MAPTMEN1KMT2ATSHRNPC1
SCHEMBL14197358 0.88 CYP1A1 (0.45) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL28720177 0.88 MAPT (0.61) MAPTMEN1KMT2ATSHRNPC1
SCHEMBL4890060 0.87 MAPT (0.58) MAPTMEN1KMT2ATSHRALOX12
SCHEMBL4880281 0.85 MEN1 (0.50) MAPTMEN1KMT2ATSHRNPC1
SCHEMBL4883770 0.84 KMT2A (0.51) MAPTMEN1KMT2ATSHRNPC1
SCHEMBL19319688 0.83 MAPT (0.50) MAPTMEN1KMT2ARAB9AALOX12
SCHEMBL4871764 0.83 KMT2A (0.50) MAPTMEN1KMT2ATSHRNPC1

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 MAPT 2220/4885MEN1 4568/4885KMT2A 4029/4885

“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.