SCHEMBL12869413

SCHEMBL12869413

CN1C(=O)c2ccc3c4c(c(Br)c(Br)c(c24)C1=O)C(=O)N(C)C3=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
ALDH1A1 P00352 4/20 0.44
USP2 O75604 3/20 0.44
KEAP1 Q14145 2/20 0.44
NFE2L2 Q16236 2/20 0.44
HPGD P15428 2/20 0.44
ATM Q13315 1/20 0.44
KDM4E B2RXH2 1/20 0.44
APP P05067 6/20 0.42
POLB P06746 1/20 0.42
PRMT1 Q99873 1/20 0.42
CASP3 P42574 2/20 0.41
CASP1 P29466 1/20 0.39
BRCA1 P38398 1/20 0.39
CASP7 P55210 1/20 0.39
MAPT P10636 2/20 0.38
HSD17B10 Q99714 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL12869420 0.82 CASP3 (0.34) CASP3MAPT
SCHEMBL12869419 0.81 APP (0.41) MEN1KMT2AALDH1A1USP2KEAP1
SCHEMBL12869402 0.81 APP (0.35) MEN1KMT2AALDH1A1USP2KEAP1
SCHEMBL127059 0.79 MEN1 (0.55) MEN1KMT2AALDH1A1USP2KEAP1
SCHEMBL30937815 0.79 MEN1 (0.55) MEN1KMT2AALDH1A1USP2KEAP1
SCHEMBL14000267 0.76 CASP3 (0.32) CASP3
SCHEMBL12107460 0.75 APP (0.39) MEN1KMT2AALDH1A1USP2KEAP1
SCHEMBL20222940 0.75 MEN1 (0.45) MEN1KMT2AALDH1A1USP2KEAP1
SCHEMBL19009044 0.75 MEN1 (0.41) MEN1KMT2AALDH1A1USP2KEAP1
SCHEMBL3687476 0.74 TSHR (0.39) MEN1KMT2AUSP2APPCASP3

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-8481736-B2 Liquid crystalline rylene tetracarboxylic acid derivatives and use thereof BASF SE (DE) 2013-07-09 US disclosed
US-20110042651-A1 LIQUID CRYSTALLINE RYLENE TETRACARBOXYLIC ACID DERIVATIVES AND USE THEREOF BASF SE (DE) 2011-02-24 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-20110042651-A1 LIQUID CRYSTALLINE RYLENE TETRACARBOXYLIC ACID DERIVATIVES AND USE THEREOF TPR, ROR1, CA3 MEN1 1342/4885KMT2A 3067/4885ALDH1A1 4792/4885

“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.