SCHEMBL3143282

SCHEMBL3143282

COc1cc(-c2ccccc2)ccc1C(=O)NN

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.64
MCHR1 Q99705 4/20 0.50
MKNK1 Q9BUB5 1/20 0.50
MKNK2 Q9HBH9 1/20 0.50
NR1H4 Q96RI1 1/20 0.50
ROCK2 O75116 4/20 0.49
ROCK1 Q13464 4/20 0.49
KDM4E B2RXH2 1/20 0.49
APAF1 O14727 1/20 0.49
RECQL P46063 1/20 0.49
CASP6 P55212 1/20 0.49
CACNA1B Q00975 1/20 0.49
APBA1 Q02410 1/20 0.49
MCL1 Q07820 1/20 0.49
CASP8 Q14790 1/20 0.49
ADRB1 P08588 2/20 0.48
ADRB3 P13945 2/20 0.48
ABCB1 P08183 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL3133644 0.87 CTSD (0.58) CTSDMCHR1MKNK1MKNK2ROCK2
SCHEMBL3134869 0.86 CTSD (0.54) CTSDMKNK1MKNK2ROCK2ROCK1
SCHEMBL3132150 0.86 CTSD (0.54) CTSDMKNK1MKNK2ROCK2ROCK1
SCHEMBL3135122 0.83 CHEK1 (0.60) MKNK1MKNK2KDM4EAPAF1RECQL
SCHEMBL3139617 0.83 SLC22A12 (0.50) CTSDMKNK1MKNK2ROCK2ROCK1
SCHEMBL3135536 0.82 CTSD (0.53) CTSDMKNK1MKNK2ROCK2ROCK1
SCHEMBL504872 0.82 CHEK1 (0.60) MKNK1MKNK2KDM4EAPAF1RECQL
SCHEMBL29788086 0.82 CHEK1 (0.60) MKNK1MKNK2KDM4EAPAF1RECQL
SCHEMBL11308149 0.81 CHEK1 (0.59) MKNK1MKNK2NR1H4KDM4EAPAF1
SCHEMBL3137569 0.81 FYN (0.52) CTSDROCK2ROCK1KDM4EADRB1

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-20100004221-A1 THIAZEPINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-01-07 US disclosed
EP-2119719-A1 THIAZEPINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-11-18 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-20100004221-A1 THIAZEPINE DERIVATIVE HSD11B1, HSD17B1, HSD3B1 CTSD 2515/4885MCHR1 1234/4885MKNK1 4143/4885

“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.