SCHEMBL3398650

SCHEMBL3398650

O=C(NCCSc1ccc(OC(F)(F)F)cc1)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
LMNA P02545 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
MAPT P10636 1/20 0.53
HTT P42858 2/20 0.48
RAB9A P51151 4/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPC1 O15118 4/20 0.44
ALDH1A1 P00352 2/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
TGM2 P21980 1/20 0.44
USP2 O75604 1/20 0.43
LTA4H P09960 1/20 0.43
EPHX2 P34913 1/20 0.43
MTNR1A P48039 2/20 0.43
MTNR1B P49286 2/20 0.43
KEAP1 Q14145 2/20 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
SCHEMBL19145580 0.85 SMN1; SMN2 (0.68) SMN1; SMN2LMNAL3MBTL1MAPTHTT
SCHEMBL3404533 0.84 ALDH1A1 (0.62) SMN1; SMN2LMNAL3MBTL1MAPTHTT
SCHEMBL8002914 0.82 SMN1; SMN2 (0.59) SMN1; SMN2LMNAL3MBTL1MAPTHTT
SCHEMBL3400792 0.82 HPGD (0.61) SMN1; SMN2LMNAL3MBTL1MAPTHTT
SCHEMBL13693420 0.82 SMN1; SMN2 (0.59) SMN1; SMN2LMNAL3MBTL1MAPTHTT
SCHEMBL7991636 0.81 SMN1; SMN2 (0.58) SMN1; SMN2LMNAL3MBTL1MAPTHTT
SCHEMBL12839907 0.75 PRSS1 (0.60) SMN1; SMN2L3MBTL1MAPTNPC1ALDH1A1
SCHEMBL3404602 0.74 MTNR1A (0.66) SMN1; SMN2LMNAL3MBTL1MAPTHTT
SCHEMBL29106568 0.74 HTT (0.53) SMN1; SMN2LMNAL3MBTL1MAPTHTT
SCHEMBL7437779 0.73 LMNA (0.66) SMN1; SMN2LMNAL3MBTL1MAPTHTT

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 13 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-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 SMN1; SMN2 2853/4885LMNA 3703/4885L3MBTL1 3484/4885
US-20090227788-A1 PROCESS FOR PREPARING BENZOTHIAZEPINES FROM GAMMA-AMINOALKYLBENZENES TPMT, SULT2A1, KCNJ2 SMN1; SMN2 2828/4885LMNA 3718/4885L3MBTL1 3512/4885

“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.