SCHEMBL3220742

SCHEMBL3220742

CCc1nc2c(C)cc(C(=O)OC)nc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
GABRA4 P48169 1/20 0.41
GABRE P78334 1/20 0.41
GABRA6 Q16445 1/20 0.41
GABRG1 Q8N1C3 1/20 0.41
GABRG3 Q99928 1/20 0.41
GABRQ Q9UN88 1/20 0.41
MAPK1 P28482 2/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 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
SCHEMBL6299898 0.90 CYP1A2 (0.43) GABRPGABRDGABRA1GABRB1GABRG2
Hydrogen Peroxide SCHEMBL9434810 0.89 CYP1A2 (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6306226 0.82 MAPK1 (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL14135011 0.80 PDE2A (0.33) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9435007 0.80 CYP1A2 (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7018191 0.79 ADORA1 (0.57) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3199658 0.75 ADORA1 (0.40) ALDH1A1TP53ADORA1ADORA3ADORA2A
SCHEMBL1918476 0.75 ADORA1 (0.54) KDM4EALDH1A1TP53ADORA1ADORA3
SCHEMBL9320290 0.74 GABRP (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4362864 0.73 ADORA1 (0.41) ALDH1A1TP53ADORA1ADORA3ADORA2A

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 1 patent. 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

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 GABRP 395/4885GABRD 589/4885GABRA1 1280/4885

“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.