SCHEMBL2286251

SCHEMBL2286251

CC(C)(C)[S+]([O-])/N=C/c1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
RAB9A P51151 3/20 0.45
KMT2A Q03164 3/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
MAPT P10636 4/20 0.42
LMNA P02545 3/20 0.42
NPC1 O15118 2/20 0.42
GAA P10253 3/20 0.42
MEN1 O00255 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
CTH P32929 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL22770072 1.00 ALDH1A1 (0.53) ALDH1A1RAB9AKMT2ATSHRSMN1; SMN2
SCHEMBL22781369 1.00 ALDH1A1 (0.53) ALDH1A1RAB9AKMT2ATSHRSMN1; SMN2
SCHEMBL22159213 0.81 CYP19A1 (0.43) ALDH1A1RAB9AKMT2ASMN1; SMN2MAPT
SCHEMBL22159210 0.81 CYP19A1 (0.43) ALDH1A1RAB9AKMT2ASMN1; SMN2MAPT
SCHEMBL22159211 0.81 CYP19A1 (0.43) ALDH1A1RAB9AKMT2ASMN1; SMN2MAPT
SCHEMBL17064750 0.80 NPC1 (0.37) RAB9AKMT2ASMN1; SMN2MAPTLMNA
SCHEMBL17064753 0.80 NPC1 (0.37) RAB9AKMT2ASMN1; SMN2MAPTLMNA
SCHEMBL17064749 0.80 NPC1 (0.37) RAB9AKMT2ASMN1; SMN2MAPTLMNA
SCHEMBL18623270 0.80 NPC1 (0.37) RAB9AKMT2ASMN1; SMN2MAPTLMNA
SCHEMBL26951405 0.80 GPR3 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118994099-A Isomyosmine fast synthesis method of (2) 南通益昊药业有限公司 2024-11-22 CN disclosed
US-20230301341-A1 COMPOSITIONS AND METHODS FOR SUBLINGUAL DELIVERY OF NICOTINE Poviva Corp. (US) 2023-09-28 US disclosed
WO-2023183227-A1 COMPOSITIONS AND METHODS FOR SUBLINGUAL DELIVERY OF NICOTINE Poviva Corp. (US) 2023-09-28 WO disclosed
US-20230301341-A1 COMPOSITIONS AND METHODS FOR SUBLINGUAL DELIVERY OF NICOTINE Poviva Corp. (US) 2023-09-28 US disclosed
US-11700875-B1 Compositions and methods for sublingual delivery of nicotine Poviva Corp. (US) 2023-07-18 US disclosed
US-11700875-B1 Compositions and methods for sublingual delivery of nicotine Poviva Corp. (US) 2023-07-18 US disclosed
WO-2023004918-A1 PREPARATION METHOD FOR SYNTHESIZING CHIRAL NICOTINE FROM CHIRAL TERT-BUTYL SULFINAMIDE 深圳市真味生物科技有限公司 2023-02-02 WO disclosed
CN-113444070-A Preparation method for synthesizing chiral nicotine from chiral tert-butyl sulfinamide 深圳市真味生物科技有限公司 2021-09-28 CN disclosed
EP-3750885-A1 COMPOUND HAVING BET INHIBITORY ACTIVITY AND PREPARATION METHOD AND USE THEREFOR Shanghai Haihe Pharmaceutical Co., Ltd. (CN) 2020-12-16 EP disclosed
EP-3750885-A1 COMPOUND HAVING BET INHIBITORY ACTIVITY AND PREPARATION METHOD AND USE THEREFOR Shanghai Haihe Pharmaceutical Co., Ltd. (CN) 2020-12-16 EP disclosed
CN-111683932-A Compound with BET inhibition activity, preparation method and application thereof 上海海和药物研究开发有限公司 2020-09-18 CN disclosed
WO-2019154329-A1 COMPOUND HAVING BET INHIBITORY ACTIVITY AND PREPARATION METHOD AND USE THEREFOR 上海海和药物研究开发有限公司 2019-08-15 WO disclosed
US-20170044187-A1 1-(3-AMINOPROPYL) SUBSTITUTED CYCLIC AMINE COMPOUNDS, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2017-02-16 US disclosed
US-7989394-B2 Substituted 1-(azolin-2-yl)-amino-2-aryl-1-hetaryl-ethane compounds BASF SE (DE) 2011-08-02 US disclosed
US-20090131256-A1 Substituted 1-(azolin-2-yl)-amino-2-aryl-1-hetaryl-ethane Compounds BASF SE (DE) 2009-05-21 US disclosed
EP-2041089-A1 SUBSTITUTED 1-(AZOLIN-2-YL)-AMINO-2-ARYL-1-HETARYL-ETHANE COMPOUNDS BASF SE (DE) 2009-04-01 EP disclosed
WO-2008000834-A1 SUBSTITUTED 1-(AZOLIN-2-YL)-AMINO-2-ARYL-1-HETARYL-ETHANE COMPOUNDS BASF SE (DE) 2008-01-03 WO 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-20090131256-A1 Substituted 1-(azolin-2-yl)-amino-2-aryl-1-hetaryl-ethane Compounds AAAS, AIPL1, ATXN2 ALDH1A1 1606/4885RAB9A 2816/4885KMT2A 594/4885
US-20170044187-A1 1-(3-AMINOPROPYL) SUBSTITUTED CYCLIC AMINE COMPOUNDS, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF CCR5, CCR1, CCRL2 ALDH1A1 297/4885RAB9A 3743/4885KMT2A 3127/4885

“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.