SCHEMBL3223354

SCHEMBL3223354

Cc1cc(Cc2ccccc2)nc2[nH]c(=O)[nH]c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
XDH P47989 2/20 0.46
ADORA1 P30542 2/20 0.44
ADORA3 P0DMS8 1/20 0.44
ADORA2A P29274 1/20 0.44
CXCR2 P25025 1/20 0.42
RECQL P46063 1/20 0.42
FEN1 P39748 1/20 0.41
DAO P14920 1/20 0.41
BRD4 O60885 1/20 0.41
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
TYMP P19971 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TTR P02766 1/20 0.40
PDE3B Q13370 2/20 0.40
PDE3A Q14432 2/20 0.40
KMT2A Q03164 1/20 0.39
ADORA2B P29275 1/20 0.39

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
SCHEMBL3209788 0.82 KDM4E (0.42) ADORA1ADORA3ADORA2AKDM4EKMT2A
SCHEMBL3217296 0.77 ADORA1 (0.48) XDHADORA1ADORA3ADORA2ACXCR2
SCHEMBL6358016 0.72 PNP (0.57) XDHDAOTYMPKMT2AADORA2B
SCHEMBL4323415 0.71 PDE3B (0.43) ADORA1ADORA3ADORA2AKDM4EHSD17B10
SCHEMBL1194422 0.71 DAO (0.54) POLBDAOKMT2A
SCHEMBL3218809 0.70 POLB (0.41) POLBBRD4
SCHEMBL28589683 0.68 CYP1A2 (0.58) POLBKDM4EKMT2A
SCHEMBL9879098 0.68 MEN1 (0.65) POLBCXCR2RECQLKDM4EKMT2A
SCHEMBL14421891 0.67 ALDH1A1 (0.44) POLBBRD4KDM4EHSD17B10KMT2A
Diphenylmethane SCHEMBL10711103 0.66 CALM1 (0.63) DAOTYMPKDM4EHSD17B10KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029710-A1 COMPOUNDS HAVING BOTH ANGIOTENSIN II RECEPTOR ANTAGONISM AND PPARy ACTIVATING ACTIVITIES PFIZER PRODUCTS INC. (US) 2010-02-04 US disclosed
US-20100029710-A1 COMPOUNDS HAVING BOTH ANGIOTENSIN II RECEPTOR ANTAGONISM AND PPARy ACTIVATING ACTIVITIES PFIZER PRODUCTS INC. (US) 2010-02-04 US disclosed
US-20100029710-A1 COMPOUNDS HAVING BOTH ANGIOTENSIN II RECEPTOR ANTAGONISM AND PPARy ACTIVATING ACTIVITIES PFIZER PRODUCTS INC. (US) 2010-02-04 US disclosed
EP-2125806-A1 COMPOUNDS HAVING BOTH ANGIOTENSIN II RECEPTOR ANTAGONISM AND PPARY ACTIVATING ACTIVITIES Pfizer Products Inc. (US) 2009-12-02 EP disclosed
WO-2008084303-A1 COMPOUNDS HAVING BOTH ANGIOTENSIN II RECEPTOR ANTAGONISM AND PPARY ACTIVATING ACTIVITIES PFIZER PRODUCTS INC. (US) 2008-07-17 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-20100029710-A1 COMPOUNDS HAVING BOTH ANGIOTENSIN II RECEPTOR ANTAGONISM AND PPARy ACTIVATING ACTIVITIES AGTR2, AGTR1, AGT POLB 2270/4885XDH 1874/4885ADORA1 1622/4885

“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.