SCHEMBL6133733

SCHEMBL6133733

CC(C)n1nc(-c2sc(NC(=O)c3ccccc3F)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.56
RAB9A P51151 6/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
ALDH1A1 P00352 3/20 0.56
RXFP1 Q9HBX9 1/20 0.56
STIM1 Q13586 1/20 0.49
ORAI1 Q96D31 1/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ADORA2A P29274 4/20 0.45
ADORA1 P30542 3/20 0.45
XIAP P98170 1/20 0.44
HTT P42858 2/20 0.44
MAPT P10636 2/20 0.44
TP53 P04637 2/20 0.44
PKM P14618 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GRM5 P41594 1/20 0.42
POLB P06746 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
SCHEMBL6134312 0.90 ALDH1A1 (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1RXFP1
SCHEMBL6133630 0.89 ALDH1A1 (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1RXFP1
SCHEMBL6133853 0.88 ADORA2A (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1RXFP1
SCHEMBL6133156 0.88 CNR1 (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1RXFP1
SCHEMBL6133303 0.88 ADORA2A (0.60) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL6133906 0.87 RAB9A (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL6133257 0.87 SMN1; SMN2 (0.56) NPC1RAB9ASMN1; SMN2ALDH1A1RXFP1
SCHEMBL6133782 0.86 ADORA2A (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1RXFP1
SCHEMBL6133654 0.85 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AADORA2AADORA1
SCHEMBL6133159 0.85 ADORA2A (0.53) NPC1RAB9ASMN1; SMN2ALDH1A1RXFP1

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 2391/4885RAB9A 1067/4885SMN1; SMN2 3135/4885

“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.