SCHEMBL12869403

SCHEMBL12869403

CN1C(=O)c2cc(F)c3c4c(c(F)cc(c24)C1=O)C(=O)N(C)C3=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
HPGD P15428 4/20 0.36
HSD17B10 Q99714 3/20 0.36
MAPT P10636 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPK1 P28482 1/20 0.36
CASP3 P42574 1/20 0.35
USP2 O75604 3/20 0.34
CASP1 P29466 1/20 0.34
BRCA1 P38398 1/20 0.34
CASP7 P55210 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALOX15 P16050 1/20 0.33
POLB P06746 1/20 0.33
APP P05067 6/20 0.33
KEAP1 Q14145 2/20 0.33
NFE2L2 Q16236 2/20 0.33
ATM Q13315 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
SCHEMBL12869404 0.94 MEN1 (0.37) ALDH1A1MEN1KMT2AHPGDHSD17B10
SCHEMBL12869422 0.91 MEN1 (0.40) ALDH1A1MEN1KMT2AHPGDHSD17B10
SCHEMBL12869401 0.91 ALDH1A1 (0.34) ALDH1A1MEN1KMT2AHPGDHSD17B10
SCHEMBL9966943 0.83 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AHPGDHSD17B10
SCHEMBL9484888 0.76 ALDH1A1 (0.36) ALDH1A1MEN1KMT2AHPGDHSD17B10
SCHEMBL19009047 0.76 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AHPGDHSD17B10
SCHEMBL12869417 0.76 APP (0.38) ALDH1A1MEN1KMT2AHPGDHSD17B10
SCHEMBL19239502 0.76 CYP1B1 (0.43) ALDH1A1MEN1KMT2AHPGDMAPT
SCHEMBL12869424 0.74 MEN1 (0.42) ALDH1A1MEN1KMT2AHPGDHSD17B10
SCHEMBL17303440 0.73 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AHPGDHSD17B10

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 ALDH1A1 4792/4885MEN1 1342/4885KMT2A 3067/4885

“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.