SCHEMBL3818679

SCHEMBL3818679

CNC(=O)c1cccc(-c2nc(-c3cnccc3C)cs2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.53
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
MAPT P10636 3/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CYP17A1 P05093 1/20 0.47
EIF4E P06730 2/20 0.46
HPGD P15428 1/20 0.44
ABL1 P00519 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
AXL P30530 1/20 0.42
PBRM1 Q86U86 1/20 0.42
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CDK8 P49336 1/20 0.42

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
SCHEMBL3819943 0.94 CYP19A1 (0.55) CYP19A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL3818427 0.88 CYP19A1 (0.48) CYP19A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL3823098 0.88 MAPT (0.49) CYP19A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL3820024 0.87 CYP19A1 (0.52) CYP19A1NPC1RAB9AMAPTCYP17A1
SCHEMBL3821583 0.87 SMN1; SMN2 (0.46) CYP19A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL3818224 0.87 RAB9A (0.61) CYP19A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL3814778 0.85 CYP19A1 (0.50) CYP19A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL3819141 0.83 RPS6KA3 (0.45) CYP19A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL3812869 0.82 CYP19A1 (0.52) CYP19A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL3814671 0.81 EIF4E (0.58) EIF4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1348706-B1 SUBSTITUTED THIAZOLE DERIVATIVES BEARING 3-PYRIDYL GROUPS, PROCESS FOR PREPARING THE SAME AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2009-08-19 EP disclosed
US-7067537-B2 Substituted thiazole derivatives bearing 3-pyridyl groups, process for preparing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-06-27 US disclosed
US-20040072876-A1 Substituted thiazole derivatives bearing 3-pyridyl groups, process for preparing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-15 US disclosed
EP-1348706-A1 SUBSTITUTED THIAZOLE DERIVATIVES BEARING 3-PYRIDYL GROUPS, PROCESS FOR PREPARING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-10-01 EP disclosed
EP-1337529-A2 HETEROCYCLYLALKYL PIPERIDINE DERIVATIVES, THEIR PREPARATION AND COMPOSITIONS CONTAINING SAME Aventis Pharma S.A. (FR) 2003-08-27 EP disclosed
WO-2002040474-A2 HETEROCYCLYLALKYL PIPERIDINE DERIVATIVES AND THEIR USE AS ANTIMICROBIAL AGENTS AVENTIS PHARMA S.A. (FR) 2002-05-23 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-20040072876-A1 Substituted thiazole derivatives bearing 3-pyridyl groups, process for preparing the same and use thereof CYP17A1, CYP21A2, HSD17B1 CYP19A1 10/4885NPC1 2076/4885RAB9A 4836/4885

“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.