SCHEMBL11414014

SCHEMBL11414014

CCc1ccc2c(=O)[nH][nH]c(=O)c2c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
KIF11 P52732 1/20 0.43
TYMS P04818 1/20 0.43
DAO P14920 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PARP15 Q460N3 5/20 0.41
PARP10 Q53GL7 5/20 0.41
PARP3 Q9Y6F1 1/20 0.41
ELANE P08246 1/20 0.41
TRPA1 O75762 1/20 0.39

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
SCHEMBL8241277 0.84 DAO (0.53) KDM4EKIF11TYMSDAONPC1
SCHEMBL10756206 0.79 DAO (0.47) KDM4EDAOHSD17B10PARP15PARP10
SCHEMBL10759453 0.79 KDM4E (0.46) KDM4EDAOTDP1HSD17B10PARP15
SCHEMBL18634062 0.79 KDM4E (0.46) KDM4EDAOTDP1HSD17B10MAPT
SCHEMBL8179273 0.74 DAO (0.40) KIF11TYMSDAOMAPT
SCHEMBL10147195 0.74 PARP1 (0.48) NPC1ALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL5830248 0.74 KDM4E (0.46) KDM4EDAOHSD17B10NPC1ALDH1A1
SCHEMBL16363691 0.73 LMNA (0.43) TYMSNPC1LMNARAB9AELANE
SCHEMBL16363695 0.73 PRMT5 (0.40) KIF11TYMSDAONPC1ALDH1A1
SCHEMBL10760387 0.73 DAO (0.61) DAOPARP15PARP10PARP3

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-8367709-B2 Dipeptide analogs as coagulation factor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-05 US disclosed
US-8222453-B2 Benzamide factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2012-07-17 US disclosed
US-20100227894-A1 BENZAMIDE FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2010-09-09 US disclosed
US-20100173899-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-07-08 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-20100227894-A1 BENZAMIDE FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F7, F9, F8 KDM4E 1317/4885KIF11 3502/4885TYMS 2372/4885
US-20100173899-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS F11, TFPI, SERPINC1 KDM4E 1645/4885KIF11 413/4885TYMS 2034/4885

“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.