SCHEMBL3342943

SCHEMBL3342943

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 3/20 0.37
GPR52 Q9Y2T5 1/20 0.35
POLB P06746 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA13 Q8N1Q1 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
CD38 P28907 1/20 0.33
DGAT1 O75907 1/20 0.33
CLCN2 P51788 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL3341058 0.86 NNMT (0.39) NNMTGPR52POLBCA12CA1
SCHEMBL3342933 0.83 POLB (0.40) NNMTGPR52POLBCA12CA1
SCHEMBL3343573 0.80 SLC6A2 (0.35) NNMTGPR52CLCN2KDM4EALDH1A1
SCHEMBL3467792 0.80 CA12 (0.37) NNMTPOLBCA12CA1CA2
SCHEMBL3341636 0.79 SLC6A4 (0.50) NNMTPOLBCLCN2KDM4EALDH1A1
SCHEMBL3347587 0.76 SETDB1 (0.40) NNMTPOLBCD38ALDH1A1HDAC1
SCHEMBL3342948 0.75 ALDH1A1 (0.41) KDM4EALDH1A1GAASIRT1KMT2A
SCHEMBL18703756 0.74 PDGFRB (0.45) KDM4EALDH1A1GLAGAA
SCHEMBL3343157 0.73 NNMT (0.39) NNMTALDH1A1HDAC6KMT2A
SCHEMBL3341075 0.72 KMT2A (0.40) NNMTALDH1A1GAAHDAC6KMT2A

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 7 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
EP-2393781-B1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS HOFFMANN LA ROCHE (CH) 2014-03-12 EP disclosed
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 899/4885GPR52 107/4885POLB 4130/4885
US-20100160389-A1 DIHYDROPYRIDONE AMIDESAS P2X7 MODULATORS P2RX3, P2RX1, P2RY1 NNMT 1496/4885GPR52 45/4885POLB 4459/4885

“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.