SCHEMBL6526880

SCHEMBL6526880

N#Cc1ccc(-n2cc3c(C(=O)O)cccc3n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PARP1 P09874 2/20 0.39
PARP2 Q9UGN5 2/20 0.39
PARP3 Q9Y6F1 1/20 0.39
PDE10A Q9Y233 1/20 0.39
NOTUM Q6P988 1/20 0.38
ADORA3 P0DMS8 2/20 0.38
ADORA2A P29274 2/20 0.38
ADORA1 P30542 1/20 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
SCHEMBL3411577 0.85 MAPT (0.43) ALDH1A1LMNAMAPTSMN1; SMN2PARP1
SCHEMBL3432748 0.81 PARP1 (0.37) NPSR1PARP1NOTUM
SCHEMBL6517899 0.78 NOTUM (0.49) NPSR1ALDH1A1LMNAMAPTPDE10A
SCHEMBL29333627 0.75 ALDH1A1 (0.42) NPSR1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL18049518 0.75 ADORA3 (0.47) NPSR1ALDH1A1SMN1; SMN2ADORA3ADORA2A
SCHEMBL23928488 0.72 ALDH1A1 (0.67) ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL4774277 0.72 DGAT1 (0.44) NPSR1
SCHEMBL3413163 0.70 CA12 (0.41) ALDH1A1LMNAMAPTPARP1
SCHEMBL2011238 0.69 KDM4E (0.46) ALDH1A1LMNASMN1; SMN2
SCHEMBL12700430 0.69 NOTUM (0.48) NOTUM

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
US-8362030-B2 Tricyclic derivatives as inhibitors of poly(ADP-ribose) polymerase (PARP) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.R.L. (IT) 2013-01-29 US disclosed
US-20110053911-A1 TRICYCLIC DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.R.L. (IT) 2011-03-03 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-20110053911-A1 TRICYCLIC DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) PARP1, PARP2, PARP11 NPSR1 4339/4885ALDH1A1 305/4885LMNA 504/4885

“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.