SCHEMBL3133644

SCHEMBL3133644

COc1cc(-c2ccc(F)cc2)ccc1C(=O)NN

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.58
ROCK2 O75116 6/20 0.52
ROCK1 Q13464 6/20 0.52
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 3/20 0.47
GAA P10253 2/20 0.47
MAPT P10636 3/20 0.46
ABCB1 P08183 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
MCHR1 Q99705 1/20 0.45
ALDH1A1 P00352 1/20 0.44
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL4338344 0.88 CTSD (0.65) CTSDROCK2ROCK1RAB9ASMN1; SMN2
SCHEMBL3132150 0.87 CTSD (0.54) CTSDROCK2ROCK1RAB9ASMN1; SMN2
SCHEMBL3135536 0.87 CTSD (0.53) CTSDROCK2ROCK1SMN1; SMN2NPC1
SCHEMBL3143282 0.87 CTSD (0.64) CTSDROCK2ROCK1SMN1; SMN2ABCB1
SCHEMBL3144142 0.83 ROCK2 (0.50) CTSDROCK2ROCK1MAPTMCHR1
SCHEMBL3138823 0.83 SLC6A4 (0.58) ROCK2ROCK1RAB9ASMN1; SMN2NPC1
SCHEMBL3133634 0.81 ALDH1A1 (0.56) ROCK2ROCK1RAB9ASMN1; SMN2NPC1
SCHEMBL4239634 0.80 RAB9A (0.55) CTSDRAB9ASMN1; SMN2NPC1GAA
SCHEMBL3134869 0.79 CTSD (0.54) CTSDROCK2ROCK1RAB9ANPC1
SCHEMBL4342983 0.78 CTSD (0.65) CTSDRAB9ASMN1; SMN2NPC1GAA

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 2515/4885ROCK2 3843/4885ROCK1 1809/4885

“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.