SCHEMBL6133811

SCHEMBL6133811

CCNC(=O)c1nc(-c2ccccc2)c(-c2ccc(=O)n(C(C)C)n2)s1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
HSP90AB1 P08238 1/20 0.39
TP53 P04637 1/20 0.39
ADORA2A P29274 2/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPT P10636 2/20 0.37
HSD17B10 Q99714 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
POLB P06746 2/20 0.37
XIAP P98170 1/20 0.36
BRD4 O60885 1/20 0.36
THRB P10828 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
DGAT1 O75907 1/20 0.36
ADORA1 P30542 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL6134311 0.92 HPGD (0.41) NPC1HPGDTP53ADORA2AKDM4E
SCHEMBL6133793 0.90 HSD17B10 (0.46) TP53KDM4EHSD17B10HTTDGAT1
SCHEMBL6133161 0.90 L3MBTL1 (0.47) NPC1HSD17B10ALDH1A1POLBTHRB
SCHEMBL6133465 0.89 HSD17B10 (0.39) TP53ADORA2AKDM4EMAPTHSD17B10
SCHEMBL6134295 0.89 TP53 (0.37) TP53ADORA2AKDM4EMAPTHSD17B10
SCHEMBL6134642 0.89 TP53 (0.41) NPC1HPGDTP53ADORA2AKDM4E
SCHEMBL6135410 0.88 RAB9A (0.44) NPC1HPGDKDM4EALDH1A1POLB
SCHEMBL6134990 0.88 MAPT (0.42) NPC1MAPTHSD17B10ALDH1A1POLB
SCHEMBL6133813 0.88 ALOX15 (0.46) TP53ADORA2AKDM4EMAPTALDH1A1
SCHEMBL6924703 0.88 CAMK2D (0.42) HPGDTP53KDM4EHSD17B10POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050004134-A1 Thiazole derivative and pharmaceutical use thereof ASTELLAS PHARMA INC. (JP) 2005-01-06 US disclosed
EP-1441732-A2 THIAZOLE DERIVATIVE AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-04 EP disclosed
WO-2003039451-A2 THIAZOLE PYRIDAZINONES AS ADENOSINE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-05-15 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-20050004134-A1 Thiazole derivative and pharmaceutical use thereof MC2R, CYP2C9, OXTR NPC1 2391/4885HPGD 1177/4885HSP90AB1 3069/4885

“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.