SCHEMBL3144142

SCHEMBL3144142

COc1cc(-c2ccc(F)c(Cl)c2)ccc1C(=O)NN

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 12/20 0.50
ROCK1 Q13464 12/20 0.50
CTSD P07339 1/20 0.49
MCHR1 Q99705 1/20 0.48
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
FYN P06241 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
TAS1R2 Q8TE23 1/20 0.44
ALDH1A1 P00352 1/20 0.43
FLT1 P17948 1/20 0.42
FLT4 P35916 1/20 0.42
KDR P35968 1/20 0.42

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
SCHEMBL3135536 0.88 CTSD (0.53) ROCK2ROCK1CTSDMAPT
SCHEMBL3143988 0.85 GAA (0.49) ROCK2ROCK1MCHR1KDM4EMAPT
SCHEMBL3133644 0.83 CTSD (0.58) ROCK2ROCK1CTSDMCHR1MAPT
SCHEMBL3134869 0.83 CTSD (0.54) ROCK2ROCK1CTSDKDM4EMAPT
SCHEMBL3132150 0.80 CTSD (0.54) ROCK2ROCK1CTSDFYN
SCHEMBL4345662 0.80 KDM4E (0.62) CTSDKDM4EMAPTALDH1A1FLT1
SCHEMBL3143282 0.79 CTSD (0.64) ROCK2ROCK1CTSDMCHR1KDM4E
SCHEMBL4338344 0.77 CTSD (0.65) ROCK2ROCK1CTSDMCHR1MAPT
SCHEMBL24524941 0.74 ABL1 (0.63) KDM4EMAPTFYNALDH1A1
SCHEMBL29654682 0.74 ABL1 (0.63) KDM4EMAPTFYNALDH1A1

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 ROCK2 3843/4885ROCK1 1809/4885CTSD 2515/4885

“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.