SCHEMBL9933776

SCHEMBL9933776

COCCN1Cc2c(N)c(Cl)cc(Cl)c2C1=O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.47
DPP4 P27487 1/20 0.47
DPP8 Q6V1X1 1/20 0.47
PARP1 P09874 2/20 0.43
ALDH1A1 P00352 5/20 0.38
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HTT P42858 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 1/20 0.36
MCL1 Q07820 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPT P10636 1/20 0.35
IDH1 O75874 1/20 0.35
MAPK1 P28482 1/20 0.35
POLB P06746 1/20 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
SCHEMBL9973904 0.81 HSP90AB1 (0.34) CYP3A4DPP4DPP8POLB
SCHEMBL9935659 0.81 PARP1 (0.46) CYP3A4DPP4DPP8PARP1ALDH1A1
SCHEMBL9933734 0.78 DPP4 (0.47) CYP3A4DPP4DPP8PARP1ALDH1A1
SCHEMBL7950728 0.70 PIK3CG (0.38) IDH1
SCHEMBL9934256 0.67 IDH1 (0.48) CYP3A4DPP4DPP8PARP1ALDH1A1
SCHEMBL28612494 0.64 PARP1 (0.48) CYP3A4DPP4DPP8PARP1ALDH1A1
SCHEMBL15727835 0.62 PARP1 (0.43) PARP1ALDH1A1HSD17B10KDM4EHTT
SCHEMBL22226945 0.62 MAPK1 (0.44) CYP3A4DPP4DPP8PARP1ALDH1A1
SCHEMBL18885945 0.62 HTT (0.43) DPP4PARP1ALDH1A1HTTNPSR1
SCHEMBL3973494 0.61 IDH1 (0.39) CYP3A4DPP4DPP8PARP1ALDH1A1

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 CYP3A4 442/4885DPP4 1047/4885DPP8 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.