SCHEMBL4409157

SCHEMBL4409157

N#Cc1ccc2c3ccc(C(N)=O)c4c(C(N)=O)ccc(c5cccc1c52)c43

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 4/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 1/20 0.41
GLA P06280 1/20 0.37
ATM Q13315 2/20 0.37
KMT2A Q03164 1/20 0.37
AR P10275 1/20 0.36
SLC9A1 P19634 1/20 0.35
CASP1 P29466 2/20 0.35
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MAP3K5 Q99683 1/20 0.33
CDC7 O00311 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL4254845 0.86 CYP1A2 (0.45) ALDH1A1KDM4EGAAMAPTSLC22A12
SCHEMBL29362932 0.86 CYP1A2 (0.45) ALDH1A1KDM4EGAAMAPTSLC22A12
SCHEMBL17502200 0.79 KDM4E (0.57) ALDH1A1KDM4EGAAMAPTKMT2A
SCHEMBL10620743 0.79 KDM4E (0.57) ALDH1A1KDM4EGAAMAPTKMT2A
SCHEMBL30427308 0.79 KDM4E (0.57) ALDH1A1KDM4EGAAMAPTKMT2A
SCHEMBL4256378 0.79 CYP1A2 (0.38) ALDH1A1KDM4EGAAMAPTSLC22A12
SCHEMBL3220350 0.78 ATM (0.55) ALDH1A1KDM4EGAAMAPTATM
SCHEMBL175754 0.77 CYP1A2 (0.43) ALDH1A1KDM4EGAAMAPTGLA
SCHEMBL8014873 0.76 KDM4E (0.46) ALDH1A1KDM4EGAAMAPTGLA
SCHEMBL6757866 0.76 KDM4E (0.46) ALDH1A1KDM4EGAAMAPTGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 1588/4885KDM4E 625/4885GAA 2975/4885
US-20060229385-A1 9-Cyano-Substituted Perylene-3, 4-Dicarboxylic Monoimides CBR3, NR2C2, NR0B2 ALDH1A1 3964/4885KDM4E 2927/4885GAA 4883/4885

“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.