SCHEMBL1897970

SCHEMBL1897970

O=C(Nc1nccs1)c1ccccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 1.00
RAB9A P51151 6/20 1.00
SMN1; SMN2 Q16637 2/20 1.00
LMNA P02545 1/20 1.00
METAP2 P50579 1/20 1.00
METAP1 P53582 1/20 1.00
L3MBTL1 Q9Y468 1/20 1.00
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
CYP1A2 P05177 1/20 0.63
ALDH1A1 P00352 1/20 0.61
GAA P10253 1/20 0.61
SCD O00767 1/20 0.61
KDM4E B2RXH2 1/20 0.59
PKM P14618 1/20 0.59

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
SCHEMBL29074202 0.86 NPC1 (0.74) NPC1RAB9ASMN1; SMN2LMNAMETAP2
SCHEMBL995829 0.81 NPC1 (1.00) NPC1RAB9ASMN1; SMN2LMNAMETAP2
SCHEMBL7868117 0.81 NPC1 (0.66) NPC1RAB9ASMN1; SMN2LMNAMETAP2
Hydrochloric Acid SCHEMBL27594584 0.80 NPC1 (0.97) NPC1RAB9ASMN1; SMN2LMNAMETAP2
SCHEMBL27702357 0.80 NPC1 (0.72) NPC1RAB9ASMN1; SMN2LMNAMETAP2
SCHEMBL8895139 0.79 RAB9A (1.00) NPC1RAB9ASMN1; SMN2LMNAMETAP2
SCHEMBL6056917 0.79 SMN1; SMN2 (0.63) NPC1RAB9ASMN1; SMN2LMNAMETAP2
SCHEMBL27965261 0.79 NPC1 (0.65) NPC1RAB9ASMN1; SMN2LMNAMETAP2
SCHEMBL27622181 0.78 NPC1 (0.66) NPC1RAB9ASMN1; SMN2LMNAMETAP2
Bromide SCHEMBL27891481 0.78 NPC1 (0.70) NPC1RAB9ASMN1; SMN2LMNAMETAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108864073-B N-thiazolyl pyridine carboxamide derivative and preparation method and application thereof 湖南大学 2020-08-18 CN claimed
CN-108864073-A N- thiazolyl derivative of pyridine carboxamide and the preparation method and application thereof 湖南大学 2018-11-23 CN claimed
CN-108864073-B N-thiazolyl pyridine carboxamide derivative and preparation method and application thereof 湖南大学 2020-08-18 CN disclosed
CN-108864073-A N- thiazolyl derivative of pyridine carboxamide and the preparation method and application thereof 湖南大学 2018-11-23 CN disclosed
US-9868730-B2 Kappa opioid receptor selective compounds, compositions, and uses thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-01-16 US disclosed
US-20160002216-A1 KAPPA OPIOID RECEPTOR SELECTIVE COMPOUNDS, COMPOSITIONS, AND USES THEREOF ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI 2016-01-07 US disclosed
WO-2014127256-A1 KAPPA OPIOID RECEPTOR SELECTIVE COMPOUNDS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2014-08-21 WO disclosed
US-8344003-B2 2-pyridinecarboxamide derivatives MSD K. K. (JP) 2013-01-01 US disclosed
US-20110213000-A1 N-(2-THIAZOLYL)-AMIDE DERIVATIVES FOR THE TREATMENT OF OBESITY, DIABETES AND CARDIOVASCULAR DISEASES ZELTIA, S.A. (ES) 2011-09-01 US disclosed
US-20110213000-A1 N-(2-THIAZOLYL)-AMIDE DERIVATIVES FOR THE TREATMENT OF OBESITY, DIABETES AND CARDIOVASCULAR DISEASES ZELTIA, S.A. (ES) 2011-09-01 US disclosed
US-20110213000-A1 N-(2-THIAZOLYL)-AMIDE DERIVATIVES FOR THE TREATMENT OF OBESITY, DIABETES AND CARDIOVASCULAR DISEASES ZELTIA, S.A. (ES) 2011-09-01 US disclosed
EP-2175852-A1 N-(2-THIAZOLYL)-AMIDE DERIVATIVES FOR THE TREATMENT OF OBESITY, DIABETES AND CARDIOVASCULAR DISEASES Zeltia, S.A. (ES) 2010-04-21 EP disclosed
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES MSD K.K. (JP) 2010-02-18 US disclosed
WO-2009064388-A2 INHIBITORS OF HUMAN METHIONINE AMINOPEPTIDASE 1 AND METHODS OF TREATING DISORDERS LIU JUN O (US) 2009-05-22 WO disclosed
WO-2009019202-A1 N-(2-THIAZOLYL)-AMIDE DERIVATIVES FOR THE TREATMENT OF OBESITY, DIABETES AND CARDIOVASCULAR DISEASES ZELTIA, S.A. (ES) 2009-02-12 WO disclosed
WO-2009019202-A1 N-(2-THIAZOLYL)-AMIDE DERIVATIVES FOR THE TREATMENT OF OBESITY, DIABETES AND CARDIOVASCULAR DISEASES ZELTIA, S.A. (ES) 2009-02-12 WO disclosed
EP-2020232-A1 N-(1-thiazolyl)-amide derivatives for the treatment of obesity, diabetes and cardiovascular diseases Zeltia, S.A. (ES) 2009-02-04 EP disclosed
EP-2020232-A1 N-(1-thiazolyl)-amide derivatives for the treatment of obesity, diabetes and cardiovascular diseases Zeltia, S.A. (ES) 2009-02-04 EP disclosed
CN-100378094-C Novel 2-pyridinecarboxamide derivatives BANYU PHARMA CO LTD (JP) 2008-04-02 CN disclosed
CN-1747951-A Novel 2-pyridinecarboxamide derivatives BANYU PHARMA CO LTD (JP) 2006-03-15 CN 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 (3 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-20160002216-A1 KAPPA OPIOID RECEPTOR SELECTIVE COMPOUNDS, COMPOSITIONS, AND USES THEREOF OPRK1, OPRL1, OPRM1 NPC1 957/4885RAB9A 2616/4885SMN1; SMN2 1941/4885
US-20110213000-A1 N-(2-THIAZOLYL)-AMIDE DERIVATIVES FOR THE TREATMENT OF OBESITY, DIABETES AND CARDIOVASCULAR DISEASES ADIPOR1, ADIPOR2, FABP4 NPC1 649/4885RAB9A 3230/4885SMN1; SMN2 2864/4885
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 NPC1 4261/4885RAB9A 3609/4885SMN1; SMN2 4125/4885

“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.