SCHEMBL3134869

SCHEMBL3134869

COc1cc(-c2cccc(Cl)c2)ccc1C(=O)NN

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.54
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ADRB1 P08588 1/20 0.47
ADRB3 P13945 1/20 0.47
PDE4D Q08499 1/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.46
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
FLT1 P17948 1/20 0.46
FLT4 P35916 1/20 0.46
KDR P35968 1/20 0.46
ROCK2 O75116 4/20 0.46
ROCK1 Q13464 4/20 0.46
DCLRE1B Q9H816 1/20 0.46
RORC P51449 2/20 0.46

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
SCHEMBL3143282 0.86 CTSD (0.64) CTSDKDM4EADRB1ADRB3MKNK1
SCHEMBL3139186 0.85 CHEK1 (0.52) MAPTADRB1ADRB3MEN1NPC1
SCHEMBL4345662 0.84 KDM4E (0.62) CTSDMAPTKDM4EMEN1KMT2A
SCHEMBL3132150 0.84 CTSD (0.54) CTSDNPC1RAB9AMKNK1MKNK2
SCHEMBL3144142 0.83 ROCK2 (0.50) CTSDMAPTKDM4EFLT1FLT4
SCHEMBL3135536 0.81 CTSD (0.53) CTSDMAPTMEN1NPC1KMT2A
SCHEMBL3139617 0.81 SLC22A12 (0.50) CTSDPDE4DMKNK1MKNK2ROCK2
SCHEMBL3133644 0.79 CTSD (0.58) CTSDMAPTMEN1NPC1RAB9A
SCHEMBL3137569 0.79 FYN (0.52) CTSDKDM4EADRB1ADRB3ROCK2
SCHEMBL16261149 0.75 LMNA (0.72) CTSDMAPTKDM4EMEN1NPC1

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 2515/4885MAPT 4734/4885KDM4E 3556/4885

“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.