SCHEMBL1569974

SCHEMBL1569974

Cc1ccc(SCCN)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
ALDH1A1 P00352 4/20 0.48
MAPT P10636 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.45
HPGD P15428 5/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2A6 P11509 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
KIF11 P52732 2/20 0.44
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL3667550 0.87 ALDH1A1 (0.48) NPC1RAB9AALDH1A1CYP1A2KIF11
SCHEMBL4440556 0.86 NPC1 (0.48) NPC1RAB9AALDH1A1MAPTHPGD
SCHEMBL5168911 0.85 NPC1 (0.65) NPC1RAB9AALDH1A1MAPTHPGD
SCHEMBL27252294 0.85 POLB (0.49) NPC1RAB9AALDH1A1MAPTHPGD
Hydrochloric Acid SCHEMBL11312407 0.85 POLB (0.49) NPC1RAB9AALDH1A1MAPTHPGD
SCHEMBL8348563 0.81 SLC6A4 (0.43) ALDH1A1KIF11MAPK1
SCHEMBL17446998 0.80 NPC1 (0.45) NPC1RAB9AALDH1A1MAPTL3MBTL1
SCHEMBL5172043 0.80 POLB (0.56) NPC1RAB9AALDH1A1MAPTHPGD
SCHEMBL9808095 0.80 NPC1 (0.55) NPC1RAB9AALDH1A1MAPTHPGD
Hydrochloric Acid SCHEMBL6243015 0.79 SLC6A4 (0.42) ALDH1A1KIF11MAPK1

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 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3184171-B1 PHOSPHINYL AMIDINE COMPOUNDS, METAL COMPLEXES, CATALYST SYSTEMS, AND THEIR USE TO OLIGOMERIZE OR POLYMERIZE OLEFINS CHEVRON PHILLIPS CHEMICAL CO LP (US) 2019-03-20 EP disclosed
US-10144752-B2 Phosphinyl amidine compounds, metal complexes, catalyst systems, and their use to oligomerize or polymerize olefins CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2018-12-04 US disclosed
US-20170305945-A1 Phosphinyl Amidine Compounds, Metal Complexes, Catalyst Systems, and Their Use to Oligomerize or Polymerize Olefins CHEVRON PHILLIPS CHEMICAL COMPANY LP 2017-10-26 US disclosed
US-9732106-B2 Phosphinyl amidine compounds, metal complexes, catalyst systems, and their use to oligomerize or polymerize olefins CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2017-08-15 US disclosed
EP-3184171-A1 PHOSPHINYL AMIDINE COMPOUNDS, METAL COMPLEXES, CATALYST SYSTEMS, AND THEIR USE TO OLIGOMERIZE OR POLYMERIZE OLEFINS Chevron Phillips Chemical Company LP (US) 2017-06-28 EP disclosed
EP-3144303-A1 6-SUBSTITUTED PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES Array Biopharma, Inc. (US) 2017-03-22 EP disclosed
EP-2519532-B1 PHOSPHINYL AMIDINE COMPOUNDS, METAL COMPLEXES, CATALYST SYSTEMS, AND THEIR USE TO OLIGOMERIZE OR POLYMERIZE OLEFINS CHEVRON PHILLIPS CHEMICAL CO LP (US) 2017-03-08 EP disclosed
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-9573914-B2 Process for preparing benzothiazepines from gamma-aminoalkylbenzenes LES LABORATOIRES SERVIER (FR) 2017-02-21 US 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
US-20070112150-A1 Diimine metal complexes, methods of synthesis, and method of using in oligomerization and polymerization CHEVRON PHILLIPS CHEMICAL COMPANY LP 2007-05-17 US disclosed
US-5021431-A H-1 antagonist, h-2 agonist for treating hypertension, cardiac disease or arterial occlusion HEUMANN PHARMA GMBH & CO. (DE) 1991-06-04 US disclosed
EP-0199845-B1 IMIDAZOLYLALKYLGUANIDIN DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM HEUMANN PHARMA GMBH & CO (DE) 1990-08-01 EP disclosed
EP-0199845-A1 Imidazolylalkylguanidin derivatives, process for their preparation and pharmaceutical compositions containing them HEUMANN PHARMA GMBH & CO (DE) 1986-11-05 EP disclosed
US-4415591-A MIXTURE WITH A MONOAMINE OXIDASE GEORGIA TECH RESEARCH INSTITUTE (US) 1983-11-15 US disclosed
US-3980798-A Dichloromaleic imides for fungicidal composition and method CIBA-GEIGY CORPORATION (US) 1976-09-14 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 (4 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-10144752-B2 Phosphinyl amidine compounds, metal complexes, catalyst systems, and their use to oligomerize or polymerize olefins NIT2, NCLN, NPM1 NPC1 1733/4885RAB9A 1224/4885ALDH1A1 4849/4885
US-20090227788-A1 PROCESS FOR PREPARING BENZOTHIAZEPINES FROM GAMMA-AMINOALKYLBENZENES TPMT, SULT2A1, KCNJ2 NPC1 2263/4885RAB9A 4146/4885ALDH1A1 57/4885
US-20170305945-A1 Phosphinyl Amidine Compounds, Metal Complexes, Catalyst Systems, and Their Use to Oligomerize or Polymerize Olefins NIT2, NCLN, NPM1 NPC1 1733/4885RAB9A 1224/4885ALDH1A1 4849/4885
US-20070112150-A1 Diimine metal complexes, methods of synthesis, and method of using in oligomerization and polymerization PICALM, SPR, AP2M1 NPC1 3142/4885RAB9A 4519/4885ALDH1A1 2609/4885

“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.