SCHEMBL2832098

SCHEMBL2832098

O=C(NC(=S)Nc1cnccn1)c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.72
RAB9A P51151 6/20 0.72
PKM P14618 2/20 0.72
NPSR1 Q6W5P4 1/20 0.72
EPHX1 P07099 2/20 0.61
GAA P10253 2/20 0.57
ALPL P05186 1/20 0.57
ALPI P09923 1/20 0.57
ALPG P10696 1/20 0.57
CYP2C9 P11712 1/20 0.57
KMT2A Q03164 3/20 0.56
MAPK1 P28482 2/20 0.56
MEN1 O00255 1/20 0.56
HTT P42858 1/20 0.56
BLM P54132 1/20 0.56
POLB P06746 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.53
MAPT P10636 1/20 0.53
STAT1 P42224 1/20 0.53
ALDH1A1 P00352 2/20 0.52

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
SCHEMBL11033096 0.85 RAB9A (0.70) NPC1RAB9APKMNPSR1KMT2A
SCHEMBL45148 0.85 KMT2A (0.73) NPC1RAB9ANPSR1KMT2AMEN1
SCHEMBL14859362 0.84 RAB9A (0.76) NPC1RAB9APKMNPSR1GAA
SCHEMBL2682648 0.84 RAB9A (1.00) NPC1RAB9APKMNPSR1EPHX1
SCHEMBL30533391 0.83 KMT2A (0.71) NPC1RAB9ANPSR1KMT2AMEN1
SCHEMBL29238994 0.83 KMT2A (0.71) NPC1RAB9ANPSR1KMT2AMEN1
SCHEMBL20767994 0.82 RAB9A (0.49) NPC1RAB9APKMNPSR1GAA
SCHEMBL11314926 0.81 SMN1; SMN2 (0.55) NPC1RAB9APKMNPSR1EPHX1
SCHEMBL14096372 0.78 NAMPT (0.72) NPC1RAB9AEPHX1GAAALPL
SCHEMBL2862565 0.78 NPC1 (0.68) NPC1RAB9APKMNPSR1EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888546-B1 THIAZOLE DERIVATIVES AND USE THEREOF MERCK SERONO SA (CH) 2015-07-08 EP disclosed
US-7799814-B2 Thiazole derivatives and use thereof MERCK SERONO S.A. (CH) 2010-09-21 US disclosed
US-20080188531-A1 Ethyl 2'-(acetylamino)-4'-methyl-4,5'-bi-1,3-thiazole-2-carboxylate; autoimmune disorders and/or inflammatory diseases, cardiovascular diseases, neurodegenerative diseases, bacterial, viral infections, kidney diseases, platelet aggregation, cancer, transplantation, graft rejection or lung injuries LABORATOIRES SERONO SA (CH) 2008-08-07 US disclosed
EP-1888546-A1 THIAZOLE DERIVATIVES AND USE THEREOF LABORATOIRES SERONO S.A. (CH) 2008-02-20 EP disclosed
WO-2006125805-A1 THIAZOLE DERIVATIVES AND USE THEREOF LABORATOIRES SERONO S.A. (CH) 2006-11-30 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 (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-20080188531-A1 Ethyl 2'-(acetylamino)-4'-methyl-4,5'-bi-1,3-thiazole-2-carboxylate; autoimmune disorders and/or inflammatory diseases, cardiovascular diseases, neurodegenerative diseases, bacterial, viral infections, kidney diseases, platelet aggregation, cancer, transplantation, graft rejection or lung injuries PDGFRA, PDGFRB, PF4 NPC1 4299/4885RAB9A 1963/4885PKM 1211/4885

“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.