SCHEMBL9933734

SCHEMBL9933734

COCCN1Cc2c(ccc(Cl)c2N)C1=O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.47
CYP3A4 P08684 1/20 0.47
DPP8 Q6V1X1 1/20 0.47
IDH1 O75874 1/20 0.44
PARP1 P09874 2/20 0.41
CNR2 P34972 4/20 0.40
MAPK1 P28482 1/20 0.36
AOC3 Q16853 2/20 0.36
PARP2 Q9UGN5 1/20 0.34
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
MCL1 Q07820 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
SCHEMBL9973905 0.81 IDH1 (0.39) IDH1CNR2ALDH1A1KDM4E
SCHEMBL9935659 0.78 PARP1 (0.46) DPP4CYP3A4DPP8IDH1PARP1
SCHEMBL9933776 0.78 CYP3A4 (0.47) DPP4CYP3A4DPP8IDH1PARP1
SCHEMBL9934256 0.78 IDH1 (0.48) DPP4CYP3A4DPP8IDH1PARP1
SCHEMBL9933853 0.76 PIK3CG (0.32) DPP4CYP3A4DPP8CNR2
SCHEMBL28612494 0.72 PARP1 (0.48) DPP4CYP3A4DPP8PARP1CNR2
SCHEMBL9933768 0.68 IDH1 (0.45) IDH1PARP1ALDH1A1KDM4EHSD17B10
SCHEMBL25225949 0.68 KDM4E (0.59) PARP1MAPK1ALDH1A1KDM4EHSD17B10
SCHEMBL9933420 0.68 MEN1 (0.32) IDH1
SCHEMBL2144299 0.67 PARP1 (0.45) IDH1PARP1AOC3ALDH1A1KDM4E

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 DPP4 1047/4885CYP3A4 442/4885DPP8 962/4885

“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.