SCHEMBL23987198

SCHEMBL23987198

CCCC(S)Nc1ccc(C(C)(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIA4 P48058 1/20 0.39
▸ TSHR P16473 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ HDAC3 O15379 2/20 0.34
▸ HDAC8 Q9BY41 2/20 0.34
▸ HDAC6 Q9UBN7 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ NPC1 O15118 1/20 0.34

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
SCHEMBL23987254 0.85 TSHR (0.42) GRIA4TSHRSMN1; SMN2ALDH1A1TP53
SCHEMBL25039583 0.81 GRIA4 (0.41) GRIA4TSHRSMN1; SMN2ALDH1A1TP53
SCHEMBL4164946 0.77 TDP1 (0.46) TSHRSMN1; SMN2ALDH1A1TP53HSP90AA1
SCHEMBL23987222 0.73 KIF11 (0.42) TSHRSMN1; SMN2ALDH1A1CYP3A4HDAC3
SCHEMBL9501204 0.72 TSHR (0.46) TSHRSMN1; SMN2ALDH1A1CYP3A4HDAC3
SCHEMBL11347493 0.72 TSHR (0.72) GRIA4TSHRSMN1; SMN2ALDH1A1TP53
SCHEMBL8359955 0.70 TDP1 (0.52) TSHRSMN1; SMN2ALDH1A1TP53HSP90AA1
SCHEMBL13382108 0.69 KIF11 (0.46) GRIA4TSHRSMN1; SMN2ALDH1A1TP53
SCHEMBL25039432 0.69 LMNA (0.39) SMN1; SMN2HDAC3HDAC8HDAC6MAPT
SCHEMBL24636607 0.69 TSHR (0.45) GRIA4TSHRSMN1; SMN2ALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210338610-A1 AMINO-ARYL-BENZAMIDE COMPOUNDS AND METHODS OF USE THEREOF HEPANOVA, INC. 2021-11-04 — — 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 (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-20210338610-A1 AMINO-ARYL-BENZAMIDE COMPOUNDS AND METHODS OF USE THEREOF AADAC, GOT2, ABAT GRIA4 3263/4885TSHR 1861/4885SMN1; SMN2 3705/4885

“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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