SCHEMBL4259600

SCHEMBL4259600

N#Cc1ccc2c3cccc4cc(C(=O)O)c(C(=O)O)c(c5cccc1c25)c43

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 4/20 0.37
XDH P47989 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
NR4A1 P22736 1/20 0.36
NR4A2 P43354 1/20 0.36
NR4A3 Q92570 1/20 0.36
CYP1A2 P05177 1/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CDC25B P30305 1/20 0.36
GRIN2D O15399 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
PTPN1 P18031 1/20 0.35

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
SCHEMBL4261362 0.90 NR4A1 (0.33) SLC22A12XDHMEN1KMT2AKDM4E
SCHEMBL345964 0.83 MEN1 (0.50) MEN1KMT2AKDM4EALDH1A1NR4A1
SCHEMBL160483 0.82 HSD17B10 (0.46) MEN1KMT2AKDM4EALDH1A1NR4A1
SCHEMBL30481128 0.82 HSD17B10 (0.46) MEN1KMT2AKDM4EALDH1A1NR4A1
SCHEMBL4412297 0.81 CYP1A2 (0.42) MEN1KMT2AKDM4EALDH1A1NR4A1
SCHEMBL9135098 0.81 MEN1 (0.42) MEN1KMT2AKDM4EALDH1A1NR4A1
SCHEMBL29362932 0.78 CYP1A2 (0.45) SLC22A12XDHKDM4EALDH1A1NR4A1
SCHEMBL4254845 0.78 CYP1A2 (0.45) SLC22A12XDHKDM4EALDH1A1NR4A1
SCHEMBL29958319 0.77 KDM4E (0.37) SLC22A12MEN1KMT2AKDM4EALDH1A1
SCHEMBL28853638 0.77 KDM4E (0.37) SLC22A12MEN1KMT2AKDM4EALDH1A1

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 SLC22A12 1426/4885XDH 2048/4885MEN1 778/4885
US-20060229385-A1 9-Cyano-Substituted Perylene-3, 4-Dicarboxylic Monoimides CBR3, NR2C2, NR0B2 SLC22A12 1636/4885XDH 1492/4885MEN1 2929/4885

“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.