SCHEMBL4255330

SCHEMBL4255330

N#Cc1ccc2c3ccc4c5c(ccc(c6cccc1c62)c53)C(=O)NC4=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 4/20 0.45
▸ MAPT P10636 2/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ RGS12 O14924 1/20 0.45
▸ USP2 O75604 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ APEX1 P27695 1/20 0.45
▸ CASP1 P29466 1/20 0.45
▸ BRCA1 P38398 1/20 0.45
▸ MTOR P42345 1/20 0.45
▸ RECQL P46063 1/20 0.45
▸ BLM P54132 1/20 0.45
▸ CASP7 P55210 1/20 0.45
▸ GNAI1 P63096 1/20 0.45
▸ HBB P68871 1/20 0.45

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
SCHEMBL3291503 0.89 PARP1 (0.57) PARP1MAPTNPSR1MEN1RGS12
SCHEMBL11331683 0.83 KDR (0.44) PARP1MAPTNPSR1MEN1RGS12
SCHEMBL4256382 0.83 TYMS (0.44) MAPTMEN1POLBKMT2ATDP1
SCHEMBL7285369 0.79 CDK5 (0.50) PARP1MAPTNPSR1MEN1RGS12
SCHEMBL17502200 0.79 KDM4E (0.57) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL10620743 0.79 KDM4E (0.57) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL30427308 0.79 KDM4E (0.57) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL19519516 0.78 PARP1 (0.40) PARP1MAPTNPSR1MEN1RGS12
SCHEMBL15575338 0.78 PPOX (0.36) PARP1MAPTNPSR1MEN1RGS12
SCHEMBL29541 0.77 PARP1 (0.50) PARP1MAPTNPSR1MEN1RGS12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1542975-B1 9-CYANO-SUBSTITUTED PERYLENE-3,4-DICARBOXYLIC ACID MONOIMIDES BASF SE (DE) 2016-03-09 — — EP claimed
US-11021610-B2 Perylene bisimides with rigid 2,2′-biphenoxy bridges BASF SE 2021-06-01 — — US disclosed
US-20190023905-A1 PERYLENE BISIMIDES WITH RIGID 2,2'-BIPHENOXY BRIDGES BASF SE (DE) 2019-01-24 — — US disclosed
US-7550606-B2 9-cyano-substituted perylene-3,4-dicarboxylic acid monoimides BASF AKTIENGESELLSCHAFT (DE) 2009-06-23 — — US disclosed
US-20090023937-A1 9-CYANO-SUBSTITUTED PERYLENE-3,4-DICARBOXYLIC ACID MONOIMIDES BASF AKTIENGESELLSCHAFT (DE) 2009-01-22 — — US disclosed
US-7446198-B2 9-Cyano-substituted perylene-3, 4-dicarboxylic monoimides BASF AKTIENGESELLSCHAFT (DE) 2008-11-04 — — US disclosed
US-20060229385-A1 9-Cyano-Substituted Perylene-3, 4-Dicarboxylic Monoimides BASF AKTIENGESELLSCHAFT (DE) 2006-10-12 — — 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 (2 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-20090023937-A1 9-CYANO-SUBSTITUTED PERYLENE-3,4-DICARBOXYLIC ACID MONOIMIDES CA9, F9, CA13 PARP1 783/4885MAPT 2977/4885NPSR1 4359/4885
US-20060229385-A1 9-Cyano-Substituted Perylene-3, 4-Dicarboxylic Monoimides CBR3, NR2C2, NR0B2 PARP1 3362/4885MAPT 4664/4885NPSR1 190/4885

“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.

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