SCHEMBL7213441

SCHEMBL7213441

COC(=O)c1ccc2c(c1)N(CCBr)CC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XIAP P98170 1/20 0.47
BIRC2 Q13490 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 2/20 0.46
ALOX15 P16050 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SRD5A1 P18405 1/20 0.41
SRD5A2 P31213 1/20 0.41
TP53 P04637 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL21882598 0.88 XIAP (0.48) XIAPBIRC2MEN1KMT2AKDM4E
SCHEMBL3350901 0.86 XIAP (0.47) XIAPBIRC2MEN1KMT2AKDM4E
SCHEMBL13214309 0.85 XIAP (0.50) XIAPBIRC2MEN1KMT2AKDM4E
SCHEMBL15418016 0.85 XIAP (0.46) XIAPBIRC2MEN1KMT2AKDM4E
SCHEMBL27951583 0.84 REN (0.48) XIAPBIRC2MEN1KMT2AKDM4E
SCHEMBL28447449 0.83 MEN1 (0.46) MEN1KMT2AKDM4EALDH1A1ALOX15
SCHEMBL28532040 0.82 MEN1 (0.49) XIAPBIRC2MEN1KMT2AKDM4E
SCHEMBL2502232 0.80 KDM4E (0.59) XIAPBIRC2MEN1KMT2AKDM4E
SCHEMBL23754421 0.80 ACHE (0.57) MEN1KMT2AALDH1A1HSD17B10SMN1; SMN2
SCHEMBL30027318 0.80 ACHE (0.57) MEN1KMT2AALDH1A1HSD17B10SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6589963-B2 Drug salt thereof show a hypoglycemic action, a blood hypolipidemic action, an insulin resistance-improving action and a PPAR activating action, and are useful as a hypoglycemic agent, a hypolipidemic agent, an insulin KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2003-07-08 US disclosed
US-20030027836-A1 Novel heterocyclic compounds and salts thereof and medicinal use of the same KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2003-02-06 US disclosed
EP-1236719-A1 NOVEL HETEROCYCLIC COMPOUNDS AND SALTS THEREOF AND MEDICINAL USE OF THE SAME Kyoto Pharmaceutical Industries, Ltd. (JP) 2002-09-04 EP 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-20030027836-A1 Novel heterocyclic compounds and salts thereof and medicinal use of the same GPR119, PPARA, PPARG XIAP 4426/4885BIRC2 4621/4885MEN1 4573/4885

“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.