SCHEMBL3813015

SCHEMBL3813015

Cc1ccc(C(=O)C(Br)c2ccccc2)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.48
CES2 O00748 2/20 0.47
CES1 P23141 2/20 0.47
HSD11B1 P28845 1/20 0.46
KMT2A Q03164 4/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
BRD4 O60885 1/20 0.41
MEN1 O00255 3/20 0.41
ACP3 P15309 1/20 0.41
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
AVPR2 P30518 1/20 0.39
GPR27 Q9NS67 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 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
SCHEMBL8150588 0.82 LMNA (0.50) NFE2L2CES2CES1HSD11B1KMT2A
SCHEMBL3365928 0.79 NFE2L2 (0.44) NFE2L2HSD11B1KMT2ANPC1RAB9A
SCHEMBL1922319 0.78 NFE2L2 (0.42) NFE2L2HSD11B1KMT2ANPC1RAB9A
SCHEMBL19328370 0.74 HSD11B1 (0.42) NFE2L2HSD11B1KMT2ANPC1RAB9A
SCHEMBL10845894 0.73 NFE2L2 (0.45) NFE2L2HSD11B1KMT2ANPC1RAB9A
SCHEMBL5716706 0.73 TAS1R3 (0.46) NFE2L2HSD11B1KMT2ANPC1RAB9A
SCHEMBL9277030 0.73 CES2 (0.52) NFE2L2CES2CES1KMT2ANPC1
SCHEMBL21495114 0.73 CES2 (0.52) NFE2L2CES2CES1KMT2ANPC1
SCHEMBL5308331 0.72 HPGD (0.55) CES2CES1KMT2ANPC1RAB9A
SCHEMBL3645967 0.72 NFE2L2 (0.44) NFE2L2HSD11B1KMT2ANPC1RAB9A

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 4 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

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 NFE2L2 1711/4885CES2 840/4885CES1 67/4885

“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.