SCHEMBL2347852

SCHEMBL2347852

O=CN1C(Cl)COCC1c1cc2ccccc2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.37
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SLC6A3 Q01959 3/20 0.33
SLC6A4 P31645 1/20 0.33
CA2 P00918 1/20 0.33
PTPN2 P17706 1/20 0.32
PTPN1 P18031 1/20 0.32
FLT3 P36888 1/20 0.31
MDM2 Q00987 1/20 0.31
MAOB P27338 1/20 0.31
DAO P14920 2/20 0.31
KDM4E B2RXH2 2/20 0.31
HSD17B10 Q99714 2/20 0.31
AKR1C3 P42330 2/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
SRD5A2 P31213 1/20 0.31
BRD4 O60885 1/20 0.31
DDO Q99489 1/20 0.31

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
SCHEMBL4564609 0.70 CYP2A6 (0.35) CYP2A6SLC6A3SLC6A4MDM2KDM4E
SCHEMBL4949929 0.69 CYP2A6 (0.41) CYP2A6SLC6A3SLC6A4MAOBAKR1C3
SCHEMBL12993141 0.66 CYP2A6 (0.44) CYP2A6POLBSMN1; SMN2SLC6A3SLC6A4
SCHEMBL9027058 0.65 AOC3 (0.44) CYP2A6SLC6A3SLC6A4CA2PTPN2
SCHEMBL3260435 0.65 CYP2A6 (0.37) CYP2A6SLC6A3SLC6A4CA2FLT3
SCHEMBL2347853 0.62 POLB (0.63) POLBSMN1; SMN2PTPN2PTPN1FLT3
SCHEMBL73543 0.61 AOC3 (0.47) CYP2A6SLC6A3SLC6A4CA2FLT3
SCHEMBL28550307 0.61 AOC3 (0.42) CYP2A6POLBSMN1; SMN2SLC6A3SLC6A4
SCHEMBL13634946 0.61 CHRNB2 (0.50) HRH3
SCHEMBL13162089 0.61 HRH3 (0.42) CA2AKR1C3AOC3HRH4HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8008340-B2 3-arylthioindole-2-carboxamide derivatives and analogs thereof as inhibitors of casein kinase I AVENTIS PHARMACEUTICALS INC. (US) 2011-08-30 US disclosed
EP-1791537-B1 3-ARYLTHIOINDOLE-2-CARBOXAMIDE DERIVATIVES AND ANALOGS THEREOF AS INHIBITORS OF CASEIN KINASE I AVENTIS PHARMA INC (US) 2009-10-14 EP disclosed
US-20070142454-A1 3-ARYLTHIOINDOLE-2-CARBOXAMIDE DERIVATIVES AND ANALOGS THEREOF AS INHIBITORS OF CASEIN KINASE I AVENTIS PHARMACEUTICALS INC. (US) 2007-06-21 US disclosed
EP-1791537-A1 3-ARYLTHIOINDOLE-2-CARBOXAMIDE DERIVATIVES AND ANALOGS THEREOF AS INHIBITORS OF CASEIN KINASE I Aventis Pharmaceuticals, Inc. (US) 2007-06-06 EP disclosed
WO-2006023590-A1 3-ARYLTHIOINDOLE-2-CARBOXAMIDE DERIVATIVES AND ANALOGS THEREOF AS INHIBITORS OF CASEIN KINASE Iϵ AVENTIS PHARMACEUTICALS INC. (US) 2006-03-02 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-20070142454-A1 3-ARYLTHIOINDOLE-2-CARBOXAMIDE DERIVATIVES AND ANALOGS THEREOF AS INHIBITORS OF CASEIN KINASE I CSNK1A1, CSNK1E, CSNK1D CYP2A6 2473/4885POLB 2007/4885SMN1; SMN2 3254/4885

“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.