SCHEMBL3217296

SCHEMBL3217296

Cc1cc(Cc2ccccc2)c2[nH]c(=O)[nH]c2n1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 4/20 0.48
ADORA2A P29274 3/20 0.48
RECQL P46063 1/20 0.48
XDH P47989 2/20 0.46
PDE3B Q13370 2/20 0.45
PDE3A Q14432 2/20 0.45
TTR P02766 1/20 0.45
ADORA3 P0DMS8 1/20 0.44
DAO P14920 1/20 0.41
TLR7 Q9NYK1 1/20 0.40
MAPK1 P28482 1/20 0.40
CXCR2 P25025 1/20 0.40

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
SCHEMBL3206704 0.81 KDM4E (0.46) ADORA1ADORA2APDE3BPDE3AADORA3
SCHEMBL3223354 0.77 POLB (0.48) ADORA1ADORA2ARECQLXDHPDE3B
SCHEMBL6358016 0.72 PNP (0.57) XDHDAO
SCHEMBL4323415 0.71 PDE3B (0.43) ADORA1ADORA2APDE3BPDE3AADORA3
SCHEMBL3225015 0.70 ADORA1 (0.41) ADORA1ADORA2ARECQL
SCHEMBL5935814 0.69 MAPK1 (0.62) ADORA1RECQLMAPK1
SCHEMBL7253268 0.68 CYP1A2 (0.63)
Diphenylmethane SCHEMBL10711103 0.66 CALM1 (0.63) DAO
SCHEMBL3199516 0.66 ALDH1A1 (0.48) RECQLTLR7
SCHEMBL10730575 0.65 CALM1 (0.55) ADORA1

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-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 ADORA1 1622/4885ADORA2A 699/4885RECQL 3956/4885

“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.