SCHEMBL2347853

SCHEMBL2347853

O=C(c1cc2ccccc2[nH]1)N1CCOCC1Cl

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
HRH4 Q9H3N8 6/20 0.51
HRH3 Q9Y5N1 1/20 0.51
AKR1C3 P42330 9/20 0.50
KDM4E B2RXH2 2/20 0.48
HSD17B10 Q99714 2/20 0.48
ALDH1A1 P00352 1/20 0.48
FLT3 P36888 1/20 0.46
MAPT P10636 1/20 0.44
DAO P14920 1/20 0.44
HPGD P15428 1/20 0.44
SRD5A2 P31213 1/20 0.44
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44

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
SCHEMBL3253717 0.78 POLB (1.00) POLBSMN1; SMN2HRH4HRH3AKR1C3
SCHEMBL5064956 0.75 HRH3 (0.54) POLBSMN1; SMN2HRH4HRH3AKR1C3
SCHEMBL5549133 0.74 POLB (0.49) POLBSMN1; SMN2HRH4HRH3AKR1C3
SCHEMBL4356795 0.73 POLB (0.50) POLBSMN1; SMN2HRH4HRH3AKR1C3
SCHEMBL15064997 0.71 AKR1C3 (0.62) POLBSMN1; SMN2HRH4HRH3AKR1C3
SCHEMBL13753537 0.71 AKR1C3 (0.62) POLBSMN1; SMN2HRH4HRH3AKR1C3
SCHEMBL15533406 0.71 AKR1C3 (0.62) POLBSMN1; SMN2HRH4HRH3AKR1C3
SCHEMBL1822962 0.71 HRH4 (0.67) POLBSMN1; SMN2HRH4HRH3AKR1C3
SCHEMBL2350768 0.70 HRH4 (0.78) POLBSMN1; SMN2HRH4HRH3AKR1C3
SCHEMBL24235367 0.70 AKR1C3 (0.61) POLBSMN1; SMN2HRH4HRH3AKR1C3

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 POLB 2007/4885SMN1; SMN2 3254/4885HRH4 1593/4885

“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.