SCHEMBL4879418

SCHEMBL4879418

N#Cc1ccc(Oc2c[nH]nc2-c2ccc(O)cc2O)cc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 6/20 0.38
AR P10275 5/20 0.38
MAPT P10636 4/20 0.37
MEN1 O00255 3/20 0.37
LMNA P02545 3/20 0.37
ALOX12 P18054 3/20 0.37
KMT2A Q03164 3/20 0.37
GAA P10253 2/20 0.37
AMY1A P0DUB6 1/20 0.36
HTT P42858 2/20 0.35
GPR55 Q9Y2T6 2/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HIF1A Q16665 1/20 0.35
ESR1 P03372 2/20 0.34
ESR2 Q92731 2/20 0.34
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.34
HSP90AA1 P07900 1/20 0.34

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
SCHEMBL4883579 0.86 MAPT (0.41) MAPTMEN1LMNAALOX12KMT2A
SCHEMBL4881561 0.82 MAPT (0.39) MAPTMEN1LMNAALOX12KMT2A
SCHEMBL4876351 0.82 CYP11B1 (0.46) MAPTMEN1LMNAALOX12KMT2A
SCHEMBL4873458 0.80 MAPT (0.45) MAPTMEN1LMNAALOX12KMT2A
SCHEMBL4874645 0.79 MAPT (0.44) ARMAPTMEN1LMNAALOX12
SCHEMBL4883596 0.79 KMT2A (0.40) ARMAPTMEN1LMNAALOX12
SCHEMBL4884312 0.78 MAPT (0.40) MAPTMEN1LMNAALOX12KMT2A
SCHEMBL4882006 0.77 MAPT (0.44) MAPTMEN1LMNAALOX12KMT2A
SCHEMBL4883426 0.76 MAPT (0.49) MAPTMEN1LMNAALOX12KMT2A
SCHEMBL4875841 0.75 MAPT (0.45) MAPTMEN1LMNAALOX12KMT2A

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 SLC22A12 3129/4885AR 2894/4885MAPT 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.