SCHEMBL3333833

SCHEMBL3333833

NC(=O)c1ccc(C2CCCN2)cc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 12/20 0.50
PARP2 Q9UGN5 5/20 0.50
PARP3 Q9Y6F1 1/20 0.49
CHRNB2 P17787 1/20 0.44
CHRNA7 P36544 1/20 0.44
CHRNA4 P43681 1/20 0.44
PARP10 Q53GL7 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
MKNK1 Q9BUB5 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL26693436 0.95 PARP1 (0.51) PARP1PARP2PARP3CHRNB2CHRNA7
SCHEMBL4767634 0.93 PARP1 (0.50) PARP1PARP2PARP3CHRNB2CHRNA7
Trifluoroacetic Acid SCHEMBL26693369 0.90 PARP1 (0.44) PARP1PARP2PARP3CHRNB2CHRNA7
SCHEMBL28580499 0.84 PRKAB2 (0.48) PARP1PARP2PARP3CHRNB2CHRNA7
SCHEMBL21806659 0.83 MKNK1 (0.46) PARP1PARP2PARP3CHRNB2CHRNA7
SCHEMBL38656590 0.80 PRKAB2 (0.51) PARP1PARP2PARP3CHRNB2CHRNA7
SCHEMBL38656217 0.80 PRKAB2 (0.51) PARP1PARP2PARP3CHRNB2CHRNA7
SCHEMBL38659922 0.80 PRKAB2 (0.51) PARP1PARP2PARP3CHRNB2CHRNA7
SCHEMBL4045246 0.79 KMT2A (0.46) PARP1PARP2CHRNB2CHRNA7CHRNA4
SCHEMBL16401323 0.79 KMT2A (0.46) PARP1PARP2CHRNB2CHRNA7CHRNA4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023222849-A1 AMINO HETEROAROMATIC COMPOUNDS USEFUL IN THE TREATMENT OF LIVER DISEASES ASTRAZENECA AB (SE) 2023-11-23 WO disclosed
WO-2023222849-A1 AMINO HETEROAROMATIC COMPOUNDS USEFUL IN THE TREATMENT OF LIVER DISEASES ASTRAZENECA AB (SE) 2023-11-23 WO disclosed
US-20100144729-A1 COUMARIN DERIVATIVES NOVARTIS AG (CH) 2010-06-10 US disclosed
EP-2109606-A1 CHROMENE S1P1 RECEPTOR ANTAGONIST Novartis Ag (CH) 2009-10-21 EP disclosed
WO-2008092930-A1 CHROMENE S1P1 RECEPTOR ANTAGONIST NOVARTIS AG (CH) 2008-08-07 WO 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-20100144729-A1 COUMARIN DERIVATIVES F3, CYP3A7, CYP3A4 PARP1 3644/4885PARP2 3443/4885PARP3 1279/4885

“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.