SCHEMBL6133631

SCHEMBL6133631

CC(C)n1nc(-c2sc(C(=O)NC3CCCCC3)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.47
CNR1 P21554 4/20 0.46
CNR2 P34972 3/20 0.44
ALDH1A1 P00352 5/20 0.44
HTT P42858 3/20 0.44
LMNA P02545 2/20 0.44
TACR2 P21452 1/20 0.43
TACR3 P29371 1/20 0.43
OPRM1 P35372 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 1/20 0.41
PIN1 Q13526 3/20 0.40
S1PR1 P21453 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL6133760 0.95 MAOB (0.40) MAOBCNR1CNR2ALDH1A1HTT
SCHEMBL6133269 0.86 HPGD (0.42) CNR1CNR2ALDH1A1MAPTKDM4E
SCHEMBL6133813 0.85 ALOX15 (0.46) ALDH1A1HTTTACR2MEN1KMT2A
SCHEMBL6134062 0.85 MAP4K4 (0.41) CNR1CNR2KMT2A
SCHEMBL6133317 0.85 MAPT (0.46) CNR2ALDH1A1MAPTKDM4E
SCHEMBL6134642 0.84 TP53 (0.41) ALDH1A1HTTNPSR1MAPTKDM4E
SCHEMBL6134633 0.84 NPC1 (0.42) ALDH1A1TACR2TACR3OPRM1MAPT
SCHEMBL6133504 0.84 LCK (0.38) MAOBALDH1A1MEN1KMT2AKDM4E
SCHEMBL6133434 0.82 ALDH1A1 (0.46) MAOBCNR1CNR2ALDH1A1HTT
SCHEMBL6134311 0.82 HPGD (0.41) ALDH1A1HTTSMN1; SMN2MEN1KMT2A

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 MAOB 1240/4885CNR1 169/4885CNR2 153/4885

“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.