SCHEMBL1628088

SCHEMBL1628088

O=C(O)c1ccc(-n2nccc2-c2ccc(O)cc2O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 7/20 0.46
KDM4C Q9H3R0 7/20 0.46
KDM5B Q9UGL1 7/20 0.46
KDM4A O75164 3/20 0.43
TYR P14679 2/20 0.43
AMY1A P0DUB6 2/20 0.43
CSNK2A1 P68400 1/20 0.43
KDM6B O15054 1/20 0.41
ABCC4 O15439 1/20 0.41
ABCB11 O95342 1/20 0.41
BLVRB P30043 1/20 0.41
SCN5A Q14524 1/20 0.41
KCND3 Q9UK17 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA3 P07451 1/20 0.41
DRD1 P21728 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41

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
SCHEMBL1628955 0.87 MEN1 (0.44) KDM5AKDM4CKDM5BTYRHSP90AA1
SCHEMBL1631430 0.86 KDM4C (0.56) KDM5AKDM4CKDM5BKDM4AKDM6B
SCHEMBL1629728 0.86 MAPT (0.49) KDM5AKDM4CKDM5BCA12CA1
SCHEMBL1630489 0.85 PTGER1 (0.55) KDM5AKDM4CKDM5BKDM4ACA12
SCHEMBL1629515 0.84 ALDH1A1 (0.44) KDM5AKDM4CKDM5BTYRCA2
SCHEMBL1630409 0.84 HSP90AA1 (0.51) PTGER1HSP90AA1SMN1; SMN2MEN1KMT2A
SCHEMBL1629711 0.81 CYP1A2 (0.47) TYRHSP90AA1
SCHEMBL1630072 0.81 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL1630444 0.81 ALDH1A1 (0.55) KDM5AKDM4CKDM5BKDM4AHSP90AA1
SCHEMBL1630310 0.81 MEN1 (0.40) TYRCA3CA6CA14HSP90AA1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1776346-B1 1,5-Diphenylpyrazoles MERCK PATENT GMBH (DE) 2013-06-26 EP claimed
US-20080085904-A1 1,5-Diphenylpyrazoles MERCK PATENT GMBH (DE) 2008-04-10 US claimed
EP-1776346-A1 1,5-DIPHENYLPYRAZOLES Merck Patent GmbH (DE) 2007-04-25 EP claimed
WO-2006018082-A1 1,5-DIPHENYLPYRAZOLES MERCK PATENT GMBH (DE) 2006-02-23 WO claimed
EP-1776346-B1 1,5-Diphenylpyrazoles MERCK PATENT GMBH (DE) 2013-06-26 EP disclosed
US-7932401-B2 Heat Shock Protein 90 (HSP90) inhibitors; 5-(2-hydroxy-4-methoxyphenyl)-1-(3-nitrophenyl)-1H-pyrazole for example; antitumor agent, viral diseases, transplant rejection, cystic fibrosis, angiogenesis inhibition, infectious, autoimmune, or inflammatory diseases, ischemia, chemotherapy cytoprotectant MERCK PATENT GMBH (DE) 2011-04-26 US disclosed
US-20080085904-A1 1,5-Diphenylpyrazoles MERCK PATENT GMBH (DE) 2008-04-10 US disclosed
EP-1776346-A1 1,5-DIPHENYLPYRAZOLES Merck Patent GmbH (DE) 2007-04-25 EP disclosed
WO-2006018082-A1 1,5-DIPHENYLPYRAZOLES MERCK PATENT GMBH (DE) 2006-02-23 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-20080085904-A1 1,5-Diphenylpyrazoles HSP90AB1, HSP90AA1, HSP90AB2P KDM5A 3740/4885KDM4C 4178/4885KDM5B 4199/4885

“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.