SCHEMBL2394596

SCHEMBL2394596

O=C(NC(=S)Nc1cc[nH]n1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.61
RAB9A P51151 6/20 0.61
NPSR1 Q6W5P4 3/20 0.61
PKM P14618 1/20 0.61
EPHX1 P07099 6/20 0.58
ALDH1A1 P00352 3/20 0.51
KMT2A Q03164 3/20 0.51
MAPT P10636 2/20 0.51
MEN1 O00255 2/20 0.50
KDM4E B2RXH2 1/20 0.50
HPGD P15428 1/20 0.50
ALOX12 P18054 1/20 0.50

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
SCHEMBL696662 0.84 KMT2A (0.58) NPC1RAB9AKMT2AMEN1HPGD
SCHEMBL11311331 0.79 SMN1; SMN2 (0.58) NPC1RAB9AALDH1A1KMT2AMAPT
SCHEMBL3420311 0.76 NPC1 (0.59) NPC1RAB9AKMT2AMAPTMEN1
SCHEMBL2682648 0.76 RAB9A (1.00) NPC1RAB9ANPSR1PKMEPHX1
SCHEMBL14096327 0.75 RAB9A (0.57) NPC1RAB9ANPSR1PKMEPHX1
SCHEMBL6118209 0.74 EPHX1 (0.78) NPC1RAB9ANPSR1EPHX1ALDH1A1
N-(Phenylcarbamothioyl)Benzamide SCHEMBL2341910 0.74 EPHX1 (1.00) NPC1RAB9ANPSR1EPHX1ALDH1A1
SCHEMBL2781827 0.72 NPC1 (0.63) NPC1RAB9ANPSR1PKMEPHX1
SCHEMBL14742370 0.72 NPC1 (0.85) NPC1RAB9ANPSR1PKMALDH1A1
SCHEMBL571315 0.72 MAPT (0.46) NPC1ALDH1A1KMT2AMAPTHPGD

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 13 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-8017608-B2 5-Phenylthiazole derivatives and their use as p13 kinase inhibitors NOVARTIS AG (CH) 2011-09-13 US disclosed
US-7799814-B2 Thiazole derivatives and use thereof MERCK SERONO S.A. (CH) 2010-09-21 US disclosed
CN-100569770-C 5-phenyl thiazole derivant and they purposes as the PI3 kinase inhibitor NOVARTIS AG (CH) 2009-12-16 CN disclosed
CN-101248054-A Thiazole derivatives and use thereof SERONO LAB (CH) 2008-08-20 CN 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
EP-1608647-B1 5-PHENYLTHIAZOLE DERIVATIVES AND THEIR USE AS P13 KINASE INHIBITORS NOVARTIS AG (CH) 2008-01-09 EP disclosed
WO-2006125805-A1 THIAZOLE DERIVATIVES AND USE THEREOF LABORATOIRES SERONO S.A. (CH) 2006-11-30 WO disclosed
US-20060148822-A1 5-Phenylthiazole derivatives and their use as p13 kinase inhibitors NOVARTIS AG (CH) 2006-07-06 US disclosed
CN-1780832-A 5-phenylthiazole derivatives and their use as PI3 kinase inhibitors NOVARTIS AG (CH) 2006-05-31 CN disclosed
EP-1608647-A1 5-PHENYLTHIAZOLE DERIVATIVES AND THEIR USE AS P13 KINASE INHIBITORS Novartis AG (CH) 2005-12-28 EP disclosed
WO-2004078754-A1 5-PHENYLTHIAZOLE DERIVATIVES AND THEIR USE AS P13 KINASE INHIBITORS NOVARTIS AG (CH) 2004-09-16 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-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 1963/4885NPSR1 4165/4885
US-20060148822-A1 5-Phenylthiazole derivatives and their use as p13 kinase inhibitors MAP3K13, AKT3, MAP3K3 NPC1 2499/4885RAB9A 1020/4885NPSR1 2262/4885

“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.