SCHEMBL57537

SCHEMBL57537

[S]c1nc2ccccc2o1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.54
RAB9A P51151 8/20 0.54
MAPT P10636 4/20 0.54
PSMB8 P28062 1/20 0.50
SMN1; SMN2 Q16637 5/20 0.48
TP53 P04637 4/20 0.48
LMNA P02545 1/20 0.48
ALDH1A1 P00352 5/20 0.47
HSD17B10 Q99714 4/20 0.47
HPGD P15428 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
PKM P14618 3/20 0.47
KDM4E B2RXH2 2/20 0.47
HCRTR1 O43613 1/20 0.47
GAA P10253 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL824375 0.77 NPC1 (0.69) NPC1RAB9AMAPTPSMB8SMN1; SMN2
SCHEMBL29531707 0.77 NPC1 (0.69) NPC1RAB9AMAPTPSMB8SMN1; SMN2
SCHEMBL879171 0.76 NPC1 (0.54) NPC1RAB9AMAPTPSMB8SMN1; SMN2
SCHEMBL5924699 0.76 NPC1 (0.54) NPC1RAB9AMAPTPSMB8SMN1; SMN2
SCHEMBL4188069 0.74 DDAH1 (0.59) NPC1RAB9AMAPTPSMB8SMN1; SMN2
SCHEMBL3083786 0.73 PSMB8 (0.68) NPC1RAB9AMAPTPSMB8SMN1; SMN2
SCHEMBL6445384 0.71 NPC1 (0.54) NPC1RAB9AMAPTPSMB8SMN1; SMN2
SCHEMBL6445389 0.71 NPC1 (0.54) NPC1RAB9AMAPTPSMB8SMN1; SMN2
SCHEMBL9542349 0.71 NPC1 (0.54) NPC1RAB9AMAPTPSMB8SMN1; SMN2
SCHEMBL474946 0.71 NPC1 (0.54) NPC1RAB9AMAPTPSMB8SMN1; SMN2

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 1395 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110655526-A Cephalosporin-siderophore conjugates and methods of preparation and use thereof 中国科学院上海药物研究所 2020-01-07 CN claimed
US-10000450-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-06-19 US claimed
US-20170166524-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-06-15 US claimed
US-9611214-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-04-04 US claimed
US-20140288065-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-09-25 US claimed
US-8815871-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-08-26 US claimed
EP-2675800-A1 FUNCTIONALIZED ANTHRACENE-CAPPED OLIGOTHIOPHENES AND ORGANIC SEMICONDUCTORS BASED ON THE SAME, USE THEREOF Institute Of Chemistry, Chinese Academy Of Sciences (CN) 2013-12-25 EP claimed
US-20130331583-A1 FUNCTIONALIZED ANTHRACENE-CAPPED OLIGOTHIOPHENES AND ORGANIC SEMICONDUCTORS BASED ON THE SAME, USE THEREOF Institute of Chemistry, Chinesse Academy of Sciences 2013-12-12 US claimed
US-20130203750-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-08-08 US claimed
WO-2012079545-A1 FUNCTIONALIZED ANTHRACENE-CAPPED OLIGOTHIOPHENES AND ORGANIC SEMICONDUCTORS BASED ON THE SAME, USE THEREOF CHINESE ACADEMY OF SCIENCE INSTITUTE OF CHEMISTRY (CN) 2012-06-21 WO claimed
EP-0285176-A2 Silver halide color photographic material FUJI PHOTO FILM CO., LTD. (JP) 1988-10-05 EP claimed
EP-0281118-A2 Silver halide photographic material FUJI PHOTO FILM CO., LTD. (JP) 1988-09-07 EP claimed
US-4737451-A Silver halide color photographic material FUJI PHOTO FILM CO., LTD. (JP) 1988-04-12 US claimed
US-4614819-A REACTING A THIOL ESTER COMPOUND WITH 7-AMINOCEPHALOSPORIN IN PRESENCE OF BORON TRIFLUORIDE TOYAMA CHEMICAL CO., LTD. (JP) 1986-09-30 US claimed
US-4587048-A Process for the manufacture of 4-thioazetidinone compounds CIBA-GEIGY CORPORATION (US) 1986-05-06 US claimed
EP-0065488-B1 PROCESS FOR THE PREPARATION OF 4-THIO-AZETIDINONE COMPOUNDS CIBA-GEIGY AG (CH) 1985-08-14 EP claimed
EP-0096795-A2 N-aryl pyridones, their preparation and use BAYER AG (DE) 1983-12-28 EP claimed
US-4410522-A BACTERICIDES TOYAMA CHEMICAL CO., LTD. (JP) 1983-10-18 US claimed
US-4200744-A Substituted 7α-methoxy-7β[(2,3-dioxo-1-piperazinyl)carbonylaminophenylacetamido]cephalosporins TOYAMA CHEMICAL COMPANY, LIMITED (JP) 1980-04-29 US claimed
US-3930866-A MAGENTA FUJI PHOTO FILM CO., LTD. (JA) 1976-01-06 US claimed

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-20130203750-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS SLC6A2, TPH1, SLC6A3 NPC1 701/4885RAB9A 503/4885MAPT 1263/4885
US-10000450-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors SLC6A2, TPH1, SLC6A3 NPC1 701/4885RAB9A 503/4885MAPT 1263/4885
US-20170166524-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS SLC6A2, TPH1, SLC6A3 NPC1 701/4885RAB9A 503/4885MAPT 1263/4885
US-20140288065-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS SLC6A2, TPH1, SLC6A3 NPC1 701/4885RAB9A 503/4885MAPT 1263/4885

“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.