SCHEMBL3404559

SCHEMBL3404559

COc1ccc(SCCNC=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.60
MTNR1B P49286 2/20 0.60
ALDH1A1 P00352 7/20 0.52
NPC1 O15118 4/20 0.50
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
RYR2 Q92736 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
HEXA P06865 1/20 0.47
HEXB P07686 1/20 0.47
KDM4E B2RXH2 3/20 0.45
LMNA P02545 2/20 0.43
HRH3 Q9Y5N1 1/20 0.42
HPGD P15428 1/20 0.42
APP P05067 1/20 0.41
TP53 P04637 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL11287405 0.81 MTNR1A (0.53) MTNR1AMTNR1BALDH1A1NPC1RAB9A
SCHEMBL13693335 0.79 MTNR1A (0.63) MTNR1AMTNR1BALDH1A1NPC1RAB9A
SCHEMBL418525 0.78 ALDH1A1 (0.59) MTNR1AMTNR1BALDH1A1NPC1RAB9A
SCHEMBL5073066 0.77 DRD2 (0.57) MTNR1AMTNR1BALDH1A1NPC1SMN1; SMN2
SCHEMBL11474796 0.76 KIF11 (0.52) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL5075584 0.76 DRD2 (0.60) MTNR1AMTNR1BALDH1A1NPC1RAB9A
SCHEMBL3400130 0.75 MTNR1A (1.00) MTNR1AMTNR1BALDH1A1NPC1RAB9A
SCHEMBL3401444 0.75 MTNR1A (0.77) MTNR1AMTNR1BALDH1A1NPC1RAB9A
SCHEMBL29103334 0.74 MTNR1A (0.57) MTNR1AMTNR1BALDH1A1NPC1RAB9A
SCHEMBL3397574 0.74 MTNR1A (0.69) MTNR1AMTNR1BALDH1A1NPC1RAB9A

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9573914-B2 Process for preparing benzothiazepines from gamma-aminoalkylbenzenes LES LABORATOIRES SERVIER (FR) 2017-02-21 US disclosed
US-9573914-B2 Process for preparing benzothiazepines from gamma-aminoalkylbenzenes LES LABORATOIRES SERVIER (FR) 2017-02-21 US disclosed
US-20140121368-A1 PROCESS FOR PREPARING BENZOTHIAZEPINES FROM GAMMA-AMINOALKYLBENZENES ARMGO PHARMA, INC. (US) 2014-05-01 US disclosed
US-20140121368-A1 PROCESS FOR PREPARING BENZOTHIAZEPINES FROM GAMMA-AMINOALKYLBENZENES ARMGO PHARMA, INC. (US) 2014-05-01 US disclosed
US-8618282-B2 Process for preparing benzothiazepines from gamma-aminoalkylbenzenes LES LABORATOIRES SERVIER (FR) 2013-12-31 US disclosed
EP-2250159-B1 PROCESS FOR PREPARING BENZOTHIAZEPINES FROM GAMMA-AMINOALKYLBENZENES ARMGO PHARMA INC (US) 2011-12-07 EP disclosed
EP-2250159-A1 PROCESS FOR PREPARING BENZOTHIAZEPINES FROM GAMMA-AMINOALKYLBENZENES Armgo Pharma, Inc. (US) 2010-11-17 EP disclosed
WO-2009111463-A1 PROCESS FOR PREPARING BENZOTHIAZEPINES FROM GAMMA-AMINOALKYLBENZENES ARMGO PHARMA, INC. (US) 2009-09-11 WO disclosed
WO-2009111463-A1 PROCESS FOR PREPARING BENZOTHIAZEPINES FROM GAMMA-AMINOALKYLBENZENES ARMGO PHARMA, INC. (US) 2009-09-11 WO disclosed
US-20090227788-A1 PROCESS FOR PREPARING BENZOTHIAZEPINES FROM GAMMA-AMINOALKYLBENZENES RYCARMA THERAPEUTICS, INC. 2009-09-10 US disclosed
US-20090227788-A1 PROCESS FOR PREPARING BENZOTHIAZEPINES FROM GAMMA-AMINOALKYLBENZENES RYCARMA THERAPEUTICS, INC. 2009-09-10 US disclosed
US-20090227788-A1 PROCESS FOR PREPARING BENZOTHIAZEPINES FROM GAMMA-AMINOALKYLBENZENES RYCARMA THERAPEUTICS, INC. 2009-09-10 US 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 (2 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-20140121368-A1 PROCESS FOR PREPARING BENZOTHIAZEPINES FROM GAMMA-AMINOALKYLBENZENES TPMT, SULT2A1, GABRA4 MTNR1A 1676/4885MTNR1B 1156/4885ALDH1A1 55/4885
US-20090227788-A1 PROCESS FOR PREPARING BENZOTHIAZEPINES FROM GAMMA-AMINOALKYLBENZENES TPMT, SULT2A1, KCNJ2 MTNR1A 1674/4885MTNR1B 1154/4885ALDH1A1 57/4885

“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.