SCHEMBL4881508

SCHEMBL4881508

O=S(=O)(Nc1ccccn1)c1cc(-c2n[nH]cc2Oc2ccccc2Cl)c(O)cc1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.44
GLA P06280 1/20 0.44
ALDH1A1 P00352 7/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
RXFP1 Q9HBX9 2/20 0.43
BRD4 O60885 5/20 0.41
HPGD P15428 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HSD17B10 Q99714 2/20 0.39
SLC22A12 Q96S37 3/20 0.39
LMNA P02545 2/20 0.38
MAPK1 P28482 1/20 0.38
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
TCF4 P15884 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
PSMB1 P20618 1/20 0.36

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
SCHEMBL4882855 0.86 THRB (0.41)
SCHEMBL4883703 0.86 PTGS1 (0.39) ALDH1A1SMN1; SMN2
SCHEMBL4881336 0.84 ALDH1A1 (0.40) ALDH1A1HPGDSLC22A12LMNA
SCHEMBL4879852 0.83 ALPL (0.46) ALDH1A1KMT2ALMNA
SCHEMBL4880023 0.83 ACLY (0.45) KDM4EALDH1A1SMN1; SMN2
SCHEMBL4880103 0.81 PFKFB3 (0.40) ALDH1A1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL4883423 0.80 LMNA (0.42) KDM4EGLAALDH1A1SMN1; SMN2LMNA
SCHEMBL4880243 0.79 GAA (0.39) KMT2ACYP1A2CYP2C19
SCHEMBL4876500 0.76 MAPT (0.49) KDM4EALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL4871718 0.76 MAPT (0.39) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2

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 8 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-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 KDM4E 3563/4885GLA 4201/4885ALDH1A1 1963/4885

“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.