SCHEMBL3178619

SCHEMBL3178619

O=C(Nc1nccs1)c1cccnc1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.72
RAB9A P51151 7/20 0.72
SCD O00767 1/20 0.65
AQP4 P55087 1/20 0.63
SMN1; SMN2 Q16637 4/20 0.62
LMNA P02545 3/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
RECQL P46063 1/20 0.60
KCNK3 O14649 1/20 0.59
KCNK9 Q9NPC2 1/20 0.59
HIF1A Q16665 1/20 0.58
METAP2 P50579 1/20 0.57
METAP1 P53582 1/20 0.57

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
Nitrobenzene SCHEMBL27714762 0.87 MAPT (0.68) NPC1RAB9ASCDLMNAKCNK3
SCHEMBL14082512 0.85 NPC1 (0.63) NPC1RAB9ASCDSMN1; SMN2LMNA
SCHEMBL995829 0.84 NPC1 (1.00) NPC1RAB9ASCDSMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL27594584 0.83 NPC1 (0.97) NPC1RAB9ASCDSMN1; SMN2LMNA
SCHEMBL6919419 0.82 NPC1 (0.66) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL2628996 0.81 NPC1 (0.76) NPC1RAB9ASCDSMN1; SMN2LMNA
SCHEMBL6918262 0.80 GRM5 (0.59) NPC1RAB9ASCDSMN1; SMN2MEN1
SCHEMBL15116297 0.80 ALDH1A1 (0.81) LMNAMEN1KMT2AL3MBTL1RECQL
SCHEMBL16562033 0.79 SCD (1.00) NPC1RAB9ASCDSMN1; SMN2LMNA
SCHEMBL3178559 0.78 AQP4 (1.00) NPC1RAB9ASCDAQP4SMN1; 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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107501258-B Thiazolyl nicotinamide compound and application thereof in preparation of anti-allergic and anti-asthma medicines 刘双伟 2018-08-28 CN claimed
CN-108299418-A A kind of synthetic method of the thiazolyl nicotinamide compound of antiallergy and asthma 刘双伟 2018-07-20 CN claimed
CN-107501258-A Thiazolyl nicotinamide compound and application thereof in preparation of anti-allergic and anti-asthma medicines 刘双伟 2017-12-22 CN claimed
WO-2016102969-A1 INHIBITION OF HAIR GROWTH THE UNIVERSITY OF MANCHESTER (GB) 2016-06-30 WO claimed
US-20240166651-A1 HETEROCYCLIC DERIVATIVES AS JANUS KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2024-05-23 US disclosed
CN-107501258-B8 Thiazolyl nicotinamide compound and application thereof in preparation of anti-allergic and anti-asthma medicines 青岛大学附属医院 2018-10-16 CN disclosed
CN-107501258-B8 Thiazolyl nicotinamide compound and application thereof in preparation of anti-allergic and anti-asthma medicines 青岛大学附属医院 2018-10-16 CN disclosed
CN-107501258-B Thiazolyl nicotinamide compound and application thereof in preparation of anti-allergic and anti-asthma medicines 刘双伟 2018-08-28 CN disclosed
CN-107501258-B Thiazolyl nicotinamide compound and application thereof in preparation of anti-allergic and anti-asthma medicines 刘双伟 2018-08-28 CN disclosed
CN-107501258-B Thiazolyl nicotinamide compound and application thereof in preparation of anti-allergic and anti-asthma medicines 刘双伟 2018-08-28 CN disclosed
CN-108299418-A A kind of synthetic method of the thiazolyl nicotinamide compound of antiallergy and asthma 刘双伟 2018-07-20 CN disclosed
CN-108299418-A A kind of synthetic method of the thiazolyl nicotinamide compound of antiallergy and asthma 刘双伟 2018-07-20 CN disclosed
WO-2016102969-A1 INHIBITION OF HAIR GROWTH THE UNIVERSITY OF MANCHESTER (GB) 2016-06-30 WO disclosed
US-7659312-B2 Inhibitors of Aquaporin 4, methods and uses thereof NIIGATA UNIVERSITY (JP) 2010-02-09 US disclosed
US-7659312-B2 Inhibitors of Aquaporin 4, methods and uses thereof NIIGATA UNIVERSITY (JP) 2010-02-09 US disclosed
US-7659312-B2 Inhibitors of Aquaporin 4, methods and uses thereof NIIGATA UNIVERSITY (JP) 2010-02-09 US disclosed
US-20070281978-A1 INHIBITORS OF AQUAPORIN 4, METHODS AND USES THEREOF NIIGATA UNIVERSITY (JP) 2007-12-06 US disclosed
US-20070281978-A1 INHIBITORS OF AQUAPORIN 4, METHODS AND USES THEREOF NIIGATA UNIVERSITY (JP) 2007-12-06 US disclosed
US-20070281978-A1 INHIBITORS OF AQUAPORIN 4, METHODS AND USES THEREOF NIIGATA UNIVERSITY (JP) 2007-12-06 US disclosed
WO-2006129257-A2 KETOLIDE DERIVATIVES AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2006-12-07 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-20240166651-A1 HETEROCYCLIC DERIVATIVES AS JANUS KINASE INHIBITORS TYK2, JAK3, JAK1 NPC1 4516/4885RAB9A 3268/4885SCD 3940/4885
US-20070281978-A1 INHIBITORS OF AQUAPORIN 4, METHODS AND USES THEREOF AQP4, AQP1, AQP3 NPC1 276/4885RAB9A 2079/4885SCD 4153/4885

“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.