SCHEMBL2350737

SCHEMBL2350737

O=C(c1[nH]c2ccc(F)cc2c1Sc1ccccc1)N1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
TUBB4A P04350 5/20 0.47
TUBB P07437 5/20 0.47
TUBA3C P0DPH7 5/20 0.47
TUBA1B P68363 5/20 0.47
TUBA4A P68366 5/20 0.47
TUBB4B P68371 5/20 0.47
TUBB3 Q13509 5/20 0.47
TUBB2A Q13885 5/20 0.47
TUBB8 Q3ZCM7 5/20 0.47
TUBA3E Q6PEY2 5/20 0.47
TUBA1A Q71U36 5/20 0.47
TUBA1C Q9BQE3 5/20 0.47
TUBB6 Q9BUF5 5/20 0.47
TUBB2B Q9BVA1 5/20 0.47
TUBB1 Q9H4B7 5/20 0.47
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
POLB P06746 1/20 0.44
RXFP1 Q9HBX9 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
SCHEMBL2345144 0.89 MAPT (0.52) MAPTALDH1A1HPGDPOLBRXFP1
SCHEMBL2343474 0.84 TUBB4A (0.57) MAPTTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2344940 0.84 ALDH1A1 (0.42) MAPTALDH1A1HPGDMAP2PTGS2
SCHEMBL2347392 0.84 ALDH1A1 (0.44) MAPTTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2344225 0.83 ALDH1A1 (0.43) MAPTALDH1A1HPGDPOLBRXFP1
SCHEMBL21465493 0.77 TUBB4A (0.74) MAPTTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL24196942 0.77 PTGS2 (0.59) MAPTALDH1A1HPGDPOLBRXFP1
SCHEMBL30270452 0.77 ALDH1A1 (0.52) MAPTALDH1A1HPGDPOLBMAP2
SCHEMBL24196941 0.77 ALDH1A1 (0.52) MAPTALDH1A1HPGDPOLBMAP2
SCHEMBL2343037 0.76 TUBB4A (0.56) MAPTTUBB4ATUBBTUBA3CTUBA1B

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 10 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 claimed
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 claimed
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 claimed
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 claimed
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 claimed
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 MAPT 84/4885TUBB4A 2054/4885TUBB 1391/4885

“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.