SCHEMBL6757635

SCHEMBL6757635

CCN1CCC(c2cc3ncccc3c(=O)[nH]2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.48
PARP2 Q9UGN5 3/20 0.41
MDM2 Q00987 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
TNKS O95271 2/20 0.39
TNKS2 Q9H2K2 2/20 0.39
PARP3 Q9Y6F1 1/20 0.39
KDM4A O75164 1/20 0.39
KDM4B O94953 1/20 0.39
KDM5C P41229 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
CDK9 P50750 3/20 0.38
CASP3 P42574 1/20 0.38
CASP7 P55210 1/20 0.38
CCNT1 O60563 2/20 0.37
TLR9 Q9NR96 4/20 0.37

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
SCHEMBL6648351 0.86 HTR3A (0.43) CDK9CASP3CASP7CCNT1
SCHEMBL18550835 0.82 KDM5A (0.49) PARP1PARP2ALDH1A1KMT2ATNKS
SCHEMBL6755161 0.74 PARP1 (0.43) PARP1PARP2KDM4EALDH1A1KMT2A
SCHEMBL4076769 0.69 PARP1 (0.57) PARP1PARP2MDM2
SCHEMBL4051261 0.69 PARP1 (0.71) PARP1
SCHEMBL18550832 0.68 PARP1 (0.61) PARP1PARP2TNKSTNKS2PARP3
SCHEMBL6793345 0.68 MDM2 (0.59) PARP1PARP2MDM2HSD17B10KDM4E
SCHEMBL7395879 0.67 GAA (0.53) PARP1KDM4EALDH1A1KMT2ATNKS2
SCHEMBL6647738 0.67 PARP1 (0.44) PARP1PARP2TNKSTNKS2PARP3
SCHEMBL6926358 0.67 DRD2 (0.40) PARP1KDM4EALDH1A1KMT2A

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-20040176361-A1 Fused heterocyclic compound and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2004-09-09 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-20040176361-A1 Fused heterocyclic compound and medicinal use thereof PARP11, PARP1, CD38 PARP1 2/4885PARP2 25/4885MDM2 1116/4885

“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.