SCHEMBL3341058

SCHEMBL3341058

Cc1cc(Cl)c(CO)cc1C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 3/20 0.39
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
CD38 P28907 6/20 0.36
GPR52 Q9Y2T5 1/20 0.36
POLB P06746 1/20 0.36
MAPK14 Q16539 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA13 Q8N1Q1 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
CYP3A4 P08684 3/20 0.35

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
SCHEMBL3342943 0.86 NNMT (0.37) NNMTKMT2AATMCD38GPR52
SCHEMBL3342933 0.86 POLB (0.40) NNMTKMT2AATMCD38GPR52
SCHEMBL3341636 0.81 SLC6A4 (0.50) NNMTKMT2APOLBKDM4EALDH1A1
SCHEMBL3344285 0.80 CA12 (0.40) NNMTKMT2AATMCD38CA12
SCHEMBL3343573 0.80 SLC6A2 (0.35) NNMTKMT2AGPR52KDM4EALDH1A1
SCHEMBL3347587 0.79 SETDB1 (0.40) NNMTKMT2ACD38POLBALDH1A1
SCHEMBL14094903 0.76 SHBG (0.39) MAPK14CYP3A4
SCHEMBL3347432 0.74 CYP2A13 (0.49) KMT2APOLBKDM4EGAA
SCHEMBL7083041 0.73 NNMT (0.50) NNMTPOLBKDM4EALDH1A1
SCHEMBL3341060 0.73 ALDH1A1 (0.43) KMT2AATMMAPK14CYP3A4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288552-B2 Dihydropyridone amidesas P2X7 modulators ROCHE PALO ALTO LLC (US) 2012-10-16 US claimed
US-8288552-B2 Dihydropyridone amidesas P2X7 modulators ROCHE PALO ALTO LLC (US) 2012-10-16 US disclosed
EP-2391604-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS F. Hoffmann-La Roche AG (CH) 2011-12-07 EP disclosed
WO-2010072605-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-07-01 WO disclosed
US-20100160388-A1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 US disclosed
US-20100160389-A1 DIHYDROPYRIDONE AMIDESAS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 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 (2 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-20100160388-A1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS P2RY1, P2RX1, P2RX3 NNMT 899/4885KMT2A 3901/4885ATM 3719/4885
US-20100160389-A1 DIHYDROPYRIDONE AMIDESAS P2X7 MODULATORS P2RX3, P2RX1, P2RY1 NNMT 1496/4885KMT2A 3040/4885ATM 3562/4885

“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.