SCHEMBL422525

SCHEMBL422525

CCCCSc1nccn1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
SMN1; SMN2 Q16637 6/20 0.47
KMT2A Q03164 4/20 0.44
RAB9A P51151 7/20 0.43
ALDH1A1 P00352 5/20 0.43
NPC1 O15118 5/20 0.43
POLB P06746 4/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
ALOX12 P18054 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
RECQL P46063 1/20 0.43
THRB P10828 1/20 0.42
ALPL P05186 1/20 0.41
ALPG P10696 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
SCHEMBL24866430 0.89 KDM4E (0.51) KDM4ESMN1; SMN2KMT2ARAB9AALDH1A1
SCHEMBL15219972 0.89 KDM4E (0.51) KDM4ESMN1; SMN2KMT2ARAB9AALDH1A1
SCHEMBL9217653 0.85 KDM4E (0.49) KDM4ESMN1; SMN2KMT2ARAB9AALDH1A1
Hydrochloric Acid SCHEMBL8907355 0.85 KDM4E (0.49) KDM4ESMN1; SMN2KMT2ARAB9AALDH1A1
Trifluoromethanesulfonamide SCHEMBL28081055 0.84 KDM4E (0.47) KDM4ESMN1; SMN2KMT2ARAB9AALDH1A1
SCHEMBL7456376 0.84 KDM4E (0.48) KDM4ESMN1; SMN2KMT2ARAB9AALDH1A1
Hydrochloric Acid SCHEMBL7448480 0.84 KDM4E (0.48) KDM4ESMN1; SMN2KMT2ARAB9AALDH1A1
SCHEMBL7814833 0.84 KDM4E (0.48) KDM4ESMN1; SMN2KMT2ARAB9AALDH1A1
SCHEMBL7357434 0.82 KDM4E (0.50) KDM4ESMN1; SMN2KMT2ARAB9AALDH1A1
Bromide SCHEMBL11321862 0.82 KDM4E (0.47) KDM4ESMN1; SMN2KMT2ARAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107602476-A A kind of preparation method of the methylimidazole of 2 sulfydryl 1 浦拉司科技(上海)有限责任公司 2018-01-19 CN claimed
CN-105866213-A Mercury ion selective electrode based on sulfydryl functionalized ionic liquid-carboxylated multi-walled carbon nanotube and preparation method and application thereof 河南理工大学 2016-08-17 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 disclosed
US-10000450-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-06-19 US disclosed
CN-107602476-A A kind of preparation method of the methylimidazole of 2 sulfydryl 1 浦拉司科技(上海)有限责任公司 2018-01-19 CN disclosed
US-20170166524-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-06-15 US disclosed
US-20170166524-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-06-15 US disclosed
US-9611214-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-04-04 US disclosed
US-9611214-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-04-04 US disclosed
CN-105866213-A Mercury ion selective electrode based on sulfydryl functionalized ionic liquid-carboxylated multi-walled carbon nanotube and preparation method and application thereof 河南理工大学 2016-08-17 CN disclosed
US-20140288065-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-09-25 US disclosed
US-20120065162-A1 N-N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-03-15 US disclosed
EP-2407451-A1 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors Otsuka Pharmaceutical Co., Ltd. (JP) 2012-01-18 EP disclosed
US-8084442-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-12-27 US disclosed
US-8084442-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-12-27 US disclosed
US-20110152290-A1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2011-06-23 US disclosed
US-20090088406-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-04-02 US disclosed
US-20090088406-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-04-02 US disclosed
US-7189741-B2 Indolylpiperidine derivatives as antihistaminic and antiallergic agents ALMIRALL PRODESFARMA S.A. (ES) 2007-03-13 US disclosed
US-7189741-B2 Indolylpiperidine derivatives as antihistaminic and antiallergic agents ALMIRALL PRODESFARMA S.A. (ES) 2007-03-13 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 (6 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-20090088406-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS SLC6A2, TPH1, SLC6A3 KDM4E 1194/4885SMN1; SMN2 1192/4885KMT2A 1306/4885
US-10000450-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors SLC6A2, TPH1, SLC6A3 KDM4E 1194/4885SMN1; SMN2 1192/4885KMT2A 1306/4885
US-20110152290-A1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS EDF1, LPAR2, LIPG KDM4E 938/4885SMN1; SMN2 4324/4885KMT2A 1612/4885
US-20170166524-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS SLC6A2, TPH1, SLC6A3 KDM4E 1194/4885SMN1; SMN2 1192/4885KMT2A 1306/4885
US-20120065162-A1 N-N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS SLC6A2, TPH1, SLC6A3 KDM4E 1189/4885SMN1; SMN2 1143/4885KMT2A 1299/4885
US-20140288065-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS SLC6A2, TPH1, SLC6A3 KDM4E 1194/4885SMN1; SMN2 1192/4885KMT2A 1306/4885

“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.