SCHEMBL3342933

SCHEMBL3342933

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
NNMT P40261 3/20 0.39
GPR52 Q9Y2T5 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
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
DPP4 P27487 2/20 0.34

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) POLBNNMTGPR52CA12CA1
SCHEMBL3342943 0.83 NNMT (0.37) POLBNNMTGPR52CA12CA1
SCHEMBL3341636 0.81 SLC6A4 (0.50) POLBNNMTKDM4EALDH1A1GAA
SCHEMBL3347587 0.79 SETDB1 (0.40) POLBNNMTALDH1A1CD38KMT2A
SCHEMBL3343573 0.77 SLC6A2 (0.35) NNMTGPR52KDM4EALDH1A1CLCN2
SCHEMBL3347432 0.74 CYP2A13 (0.49) POLBKDM4EGAAKMT2ATDP1
SCHEMBL7083041 0.73 NNMT (0.50) POLBNNMTKDM4EALDH1A1SIRT3
SCHEMBL3347886 0.73 PDCD1 (0.38) NNMTKDM4EALDH1A1GAAKMT2A
SCHEMBL20194580 0.72 CA12 (0.50) POLBNNMTCA12CA1CA2
SCHEMBL6815970 0.72 SLC9A1 (0.49) POLBNNMTCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2393781-B1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS HOFFMANN LA ROCHE (CH) 2014-03-12 EP disclosed
US-20100160388-A1 DIHYDROPYRIDONE UREAS AS 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 (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-20100160388-A1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS P2RY1, P2RX1, P2RX3 POLB 4130/4885NNMT 899/4885GPR52 107/4885

“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.