SCHEMBL4883770

SCHEMBL4883770

COC(=O)c1ccc(Oc2c[nH]nc2-c2ccc(OC)cc2O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.51
MEN1 O00255 8/20 0.51
MAPT P10636 8/20 0.51
LMNA P02545 4/20 0.51
HSD17B10 Q99714 3/20 0.51
TSHR P16473 3/20 0.51
ALOX15 P16050 2/20 0.51
ALOX12 P18054 4/20 0.50
USP2 O75604 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TP53 P04637 2/20 0.50
HSP90AA1 P07900 1/20 0.50
XBP1 P17861 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
AMY1A P0DUB6 1/20 0.45
APP P05067 1/20 0.45
GAA P10253 4/20 0.43
POLB P06746 2/20 0.42

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
SCHEMBL4882983 0.93 AMY1A (0.53) KMT2AMEN1MAPTLMNAHSD17B10
SCHEMBL4885680 0.90 AMY1A (0.55) KMT2AMEN1MAPTLMNAHSD17B10
SCHEMBL4876579 0.84 MAPT (0.52) KMT2AMEN1MAPTLMNAHSD17B10
SCHEMBL4881463 0.83 MEN1 (0.56) KMT2AMEN1MAPTLMNAHSD17B10
SCHEMBL4884599 0.83 KMT2A (0.49) KMT2AMEN1MAPTLMNAHSD17B10
SCHEMBL12846896 0.82 CYP11B1 (0.52) KMT2AMAPTLMNASMN1; SMN2CA1
SCHEMBL28720177 0.82 MAPT (0.61) KMT2AMEN1MAPTLMNAHSD17B10
SCHEMBL4879392 0.81 L3MBTL1 (0.45) KMT2AMEN1MAPTLMNAHSD17B10
SCHEMBL4880079 0.78 AMY1A (0.52) KMT2AMEN1MAPTLMNAHSD17B10
SCHEMBL4879575 0.75 AMY1A (0.47) KMT2AMEN1MAPTLMNAHSD17B10

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 KMT2A 4029/4885MEN1 4568/4885MAPT 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.