SCHEMBL9935659

SCHEMBL9935659

COCCN1Cc2c(N)ccc(Cl)c2C1=O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.46
CYP3A4 P08684 1/20 0.45
DPP4 P27487 1/20 0.45
DPP8 Q6V1X1 1/20 0.45
PARP2 Q9UGN5 1/20 0.39
ALDH1A1 P00352 5/20 0.38
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HTT P42858 2/20 0.38
MAPK1 P28482 2/20 0.37
MCL1 Q07820 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPT P10636 1/20 0.37
IDH1 O75874 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
ABCB1 P08183 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36

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
SCHEMBL9973906 0.81 ADORA2A (0.36) ALDH1A1KDM4EIDH1
SCHEMBL9933776 0.81 CYP3A4 (0.47) PARP1CYP3A4DPP4DPP8PARP2
SCHEMBL9933734 0.78 DPP4 (0.47) PARP1CYP3A4DPP4DPP8PARP2
SCHEMBL9934256 0.75 IDH1 (0.48) PARP1CYP3A4DPP4DPP8PARP2
SCHEMBL18885945 0.73 HTT (0.43) PARP1DPP4PARP2ALDH1A1HTT
SCHEMBL7950747 0.70 ADORA2A (0.39) IDH1
SCHEMBL18863330 0.68 KAT2B (0.40) PARP1PARP2ALDH1A1HTTMAPK1
SCHEMBL3600610 0.68 PARP1 (0.41) PARP1PARP2ALDH1A1HSD17B10KDM4E
SCHEMBL9934244 0.68 ADORA2A (0.35)
SCHEMBL18863190 0.66 DPP4 (0.31) PARP1CYP3A4DPP4DPP8PARP2

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-20120157494-A1 ISOINDOLYL COMPOUNDS HARRIS III RALPH NEW (US) 2012-06-21 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-20120157494-A1 ISOINDOLYL COMPOUNDS P2RX7, P2RX3, P2RX1 PARP1 2652/4885CYP3A4 442/4885DPP4 1047/4885

“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.