SCHEMBL2385907

SCHEMBL2385907

Cc1cnc(NC(=O)c2ccccn2)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 1.00
RAB9A P51151 11/20 1.00
PKM P14618 3/20 1.00
SMN1; SMN2 Q16637 6/20 0.62
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
ALDH1A1 P00352 2/20 0.59
KDM4E B2RXH2 2/20 0.59
MAPT P10636 2/20 0.59
CASP3 P42574 1/20 0.59
SENP8 Q96LD8 1/20 0.59
SENP7 Q9BQF6 1/20 0.59
SENP6 Q9GZR1 1/20 0.59
POLB P06746 1/20 0.58
LMNA P02545 1/20 0.57
METAP2 P50579 1/20 0.57
METAP1 P53582 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
GRM4 Q14833 1/20 0.57
OPRK1 P41145 1/20 0.55

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
SCHEMBL29074212 0.87 NPC1 (0.76) NPC1RAB9APKMSMN1; SMN2MEN1
SCHEMBL31207080 0.83 RAB9A (0.70) NPC1RAB9APKMSMN1; SMN2MEN1
SCHEMBL2594378 0.82 NPC1 (0.69) NPC1RAB9APKMSMN1; SMN2ALDH1A1
SCHEMBL1270133 0.81 SMN1; SMN2 (0.75) NPC1RAB9APKMSMN1; SMN2MEN1
SCHEMBL1528552 0.80 NPC1 (0.66) NPC1RAB9APKMSMN1; SMN2MEN1
SCHEMBL12309919 0.80 NPC1 (0.66) NPC1RAB9APKMSMN1; SMN2KMT2A
SCHEMBL24074066 0.79 SMN1; SMN2 (0.72) NPC1RAB9APKMSMN1; SMN2MEN1
SCHEMBL6251182 0.79 KDR (0.74) NPC1RAB9APKMSMN1; SMN2LMNA
SCHEMBL31707000 0.79 NPC1 (0.66) NPC1RAB9APKMSMN1; SMN2MEN1
SCHEMBL21511019 0.79 SMN1; SMN2 (0.66) NPC1RAB9APKMSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20110213000-A1 N-(2-THIAZOLYL)-AMIDE DERIVATIVES FOR THE TREATMENT OF OBESITY, DIABETES AND CARDIOVASCULAR DISEASES ADIPOR1, ADIPOR2, FABP4 NPC1 649/4885RAB9A 3230/4885PKM 2701/4885

“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.