SCHEMBL12715340

SCHEMBL12715340

[C-]#[N+]c1ccc2cc(C(N)=O)[nH]c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLG P00747 1/20 0.40
▸ PLAU P00749 1/20 0.40
▸ EIF4A3 P38919 1/20 0.39
▸ FLT3 P36888 4/20 0.39
▸ ALOX15 P16050 4/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ DAO P14920 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ SRD5A2 P31213 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ RET P07949 1/20 0.37
▸ KDR P35968 1/20 0.37
▸ HRH4 Q9H3N8 1/20 0.36
▸ MAP2K1 Q02750 1/20 0.36
▸ PDGFRB P09619 1/20 0.35
▸ PDGFRA P16234 1/20 0.35

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
SCHEMBL12715341 0.87 FLT3 (0.44) FLT3KDM4EMAPTDAOHPGD
SCHEMBL30344312 0.76 PLG (0.55) PLGPLAUEIF4A3FLT3ALOX15
SCHEMBL31207838 0.76 HRH4 (0.54) PLGPLAUFLT3HRH4PDGFRB
SCHEMBL19329742 0.76 HRH4 (0.56) PLGPLAUEIF4A3FLT3ALOX15
SCHEMBL3678805 0.76 HRH4 (0.54) PLGPLAUFLT3HRH4PDGFRB
SCHEMBL8889640 0.75 HRH4 (0.55) PLGPLAUFLT3HRH4MAP2K1
SCHEMBL4741398 0.75 FLT3 (0.59) PLGPLAUEIF4A3FLT3ALOX15
SCHEMBL29062810 0.75 ALOX15 (0.64) FLT3ALOX15KDM4EDAOHPGD
SCHEMBL29540178 0.75 FLT3 (0.59) PLGPLAUFLT3KDM4EDAO
SCHEMBL13387192 0.73 CASP3 (0.55) PLGPLAUEIF4A3KDM4EMAPT

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
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

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 PLG 3395/4885PLAU 3438/4885EIF4A3 2490/4885
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 PLG 3595/4885PLAU 3721/4885EIF4A3 2453/4885

“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.

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