SCHEMBL3132013

SCHEMBL3132013

CS(=O)(=O)N1CCN(c2cc[c]c(Cl)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.49
ALDH1A1 P00352 4/20 0.45
LMNA P02545 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
IDO1 P14902 1/20 0.43
TDO2 P48775 1/20 0.43
CYP17A1 P05093 1/20 0.43
CYP21A2 P08686 1/20 0.43
CYP11B1 P15538 1/20 0.43
MAPT P10636 2/20 0.42
CYP2C9 P11712 2/20 0.42
POLB P06746 2/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL15475147 0.83 MAPT (0.41) NPSR1ALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL3139272 0.81 ACVR1B (0.46) NPSR1ALDH1A1LMNASMN1; SMN2IDO1
SCHEMBL3587531 0.78 ADRA2C (0.49) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL1810203 0.78 POLB (0.50) NPSR1ALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL2156435 0.78 ALDH1A1 (0.67) NPSR1ALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL3140104 0.76 TERT (0.41) NPSR1ALDH1A1LMNAMEN1KMT2A
SCHEMBL2155630 0.75 MEN1 (0.68) NPSR1ALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL3143049 0.74 ALDH1A1 (0.43) NPSR1ALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL1900057 0.74 ALDH1A1 (0.43) NPSR1ALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL541488 0.71 LMNA (0.47) ALDH1A1LMNASMN1; SMN2MEN1KMT2A

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 NPSR1 2255/4885ALDH1A1 28/4885LMNA 3489/4885

“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.