SCHEMBL1615733

SCHEMBL1615733

NC(=O)c1[nH]c2cc(CNCc3ccccc3[N+](=O)[O-])ccc2c1Sc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 5/20 0.42
MAPT P10636 3/20 0.42
POLB P06746 1/20 0.41
MEN1 O00255 1/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39
TUBB8 Q3ZCM7 1/20 0.39
TUBA3E Q6PEY2 1/20 0.39
TUBA1A Q71U36 1/20 0.39
TUBA1C Q9BQE3 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
SCHEMBL1615915 0.88 TP53 (0.45) PTGS2KMT2ATP53MAPTPOLB
SCHEMBL1825505 0.86 ALDH1A1 (0.40) KMT2AKDM4EALDH1A1TP53MAPT
SCHEMBL1615214 0.86 TP53 (0.44) PTGS2KMT2ATP53MAPTPOLB
SCHEMBL1615959 0.85 TP53 (0.51) PTGS2KMT2ATP53MAPTPOLB
SCHEMBL1615897 0.85 PTGS2 (0.40) PTGS2KMT2ATP53MAPTPOLB
SCHEMBL1615376 0.85 TP53 (0.46) PTGS2KMT2ATP53MAPTPOLB
SCHEMBL1616220 0.84 PTGS2 (0.41) PTGS2KMT2ATP53MAPTPOLB
SCHEMBL1615330 0.82 TP53 (0.48) PTGS2KMT2ATP53MAPTPOLB
SCHEMBL1615426 0.82 TP53 (0.48) PTGS2KMT2ATP53MAPTPOLB
SCHEMBL1615989 0.82 TP53 (0.56) PTGS2KMT2AKDM4EALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1794122-B1 3-SUBSTITUTED-5- AND 6-AMINOALKYL INDOLE-2-CARBOXYLIC ACID AMIDES AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE I AVENTIS PHARMA INC (US) 2011-05-04 EP claimed
US-7629376-B2 3-substituted-5- and 6-aminoalkyl indole-2-carboxylic acid amides and related analogs as inhibitors of casein kinase I AVENTIS PHARMACEUTICALS INC. (US) 2009-12-08 US claimed
US-20080027124-A1 3-SUBSTITUTED-5- AND 6-AMINOALKYL INDOLE-2-CARBOXYLIC ACID AMIDES AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE I AVENTIS PHARMACEUTICALS INC. (US) 2008-01-31 US claimed
EP-1794122-A1 3-SUBSTITUTED-5- AND 6-AMINOALKYL INDOLE-2-CARBOXYLIC ACID AMIDES AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE I Aventis Pharmaceuticals, Inc. (US) 2007-06-13 EP claimed
WO-2006023467-A1 3-SUBSTITUTED-5- AND 6-AMINOALKYL INDOLE-2-CARBOXYLIC ACID AMIDES AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE Iϵ AVENTIS PHARMACEUTICALS INC. (US) 2006-03-02 WO claimed
EP-1794122-B1 3-SUBSTITUTED-5- AND 6-AMINOALKYL INDOLE-2-CARBOXYLIC ACID AMIDES AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE I AVENTIS PHARMA INC (US) 2011-05-04 EP disclosed
US-7923466-B2 treating in a lengthening of circadian rhythm period with 6-aminomethyl-3-phenylsulfanyl-1H-indole-2-carboxylic acid amide; for treating central nervous system diseases and mood disorders, bipolar disorder and sleep disorders, with an enzyme inhibitor AVENTIS PHARMACEUTICALS INC. (US) 2011-04-12 US disclosed
US-7629376-B2 3-substituted-5- and 6-aminoalkyl indole-2-carboxylic acid amides and related analogs as inhibitors of casein kinase I AVENTIS PHARMACEUTICALS INC. (US) 2009-12-08 US disclosed
US-20090082340-A1 3-SUBSTITUTED-5- AND 6-AMINOALKYL INDOLE-2-CARBOXYLIC ACID AMIDES AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE I AVENTIS PHARMACEUTICALS INC. (US) 2009-03-26 US disclosed
US-20080027124-A1 3-SUBSTITUTED-5- AND 6-AMINOALKYL INDOLE-2-CARBOXYLIC ACID AMIDES AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE I AVENTIS PHARMACEUTICALS INC. (US) 2008-01-31 US disclosed
EP-1794122-A1 3-SUBSTITUTED-5- AND 6-AMINOALKYL INDOLE-2-CARBOXYLIC ACID AMIDES AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE I Aventis Pharmaceuticals, Inc. (US) 2007-06-13 EP disclosed
WO-2006023467-A1 3-SUBSTITUTED-5- AND 6-AMINOALKYL INDOLE-2-CARBOXYLIC ACID AMIDES AND RELATED ANALOGS 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 (2 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-20090082340-A1 3-SUBSTITUTED-5- AND 6-AMINOALKYL INDOLE-2-CARBOXYLIC ACID AMIDES AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE I CSNK2A3, CSNK1G3, CSNK1G1 PTGS2 1768/4885KMT2A 362/4885KDM4E 619/4885
US-20080027124-A1 3-SUBSTITUTED-5- AND 6-AMINOALKYL INDOLE-2-CARBOXYLIC ACID AMIDES AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE I CSNK1G3, CSNK2A3, CSNK1E PTGS2 1783/4885KMT2A 382/4885KDM4E 503/4885

“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.