SCHEMBL3209788

SCHEMBL3209788

Cc1cc(Cc2ccccn2)nc2[nH]c(=O)[nH]c12

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.40
PNP P00491 1/20 0.39
ASIC3 Q9UHC3 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
NR3C1 P04150 1/20 0.38
NLRP3 Q96P20 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HPGD P15428 1/20 0.38
LMNA P02545 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
ALOX15 P16050 1/20 0.37
GLA P06280 1/20 0.37

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) KDM4EMAPTTSHRPNPADORA3
SCHEMBL3220275 0.73 ASIC3 (0.39) KDM4EMAPTASIC3HRH3ALDH1A1
SCHEMBL14750985 0.70 ASIC3 (0.51) KDM4EMAPTASIC3HRH3ALDH1A1
SCHEMBL4323415 0.68 PDE3B (0.43) KDM4EMAPTADORA3ADORA2AADORA1
SCHEMBL14123147 0.67 ALDH1A1 (0.58) KDM4EMAPTTSHRPNPNR3C1
SCHEMBL41191 0.67 L3MBTL1 (0.59) MAPTTSHRASIC3HRH3ALDH1A1
SCHEMBL29830938 0.67 L3MBTL1 (0.59) MAPTTSHRASIC3HRH3ALDH1A1
Ammonia Solution, Strong SCHEMBL6176560 0.65 L3MBTL1 (0.57) MAPTTSHRASIC3HRH3ALDH1A1
SCHEMBL4938201 0.65 L3MBTL1 (0.57) MAPTTSHRASIC3HRH3ALDH1A1
Bromide SCHEMBL6114859 0.65 L3MBTL1 (0.57) MAPTTSHRASIC3HRH3ALDH1A1

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 KDM4E 4566/4885MAPT 4316/4885TSHR 193/4885

“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.