SCHEMBL6710299

SCHEMBL6710299

Cn1c(C(=O)Nc2ccc(C#N)cc2-c2nnn[nH]2)cc2ccc(NS(=O)(=O)c3cccc4cccnc34)cc21

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.42
PKLR P30613 4/20 0.41
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MEN1 O00255 6/20 0.40
KMT2A Q03164 6/20 0.40
ALDH1A1 P00352 3/20 0.38
GAA P10253 1/20 0.38
NTSR1 P30989 2/20 0.37
F2 P00734 1/20 0.37
ROCK2 O75116 1/20 0.37
HTR6 P50406 1/20 0.37
HPGD P15428 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL6708876 0.90 MEN1 (0.45) BRD4MAPTNPSR1MEN1KMT2A
SCHEMBL6711640 0.90 MEN1 (0.45) BRD4MAPTNPSR1MEN1KMT2A
SCHEMBL6709966 0.87 PKLR (0.40) BRD4PKLRMAPTNPSR1MEN1
SCHEMBL6710360 0.86 TDP2 (0.41) BRD4ROCK2
SCHEMBL6833349 0.85 PKLR (0.45) BRD4PKLRMAPTNPSR1MEN1
SCHEMBL6710142 0.81 ROCK2 (0.41) F2ROCK2
SCHEMBL6709982 0.81 MAPT (0.38) MAPTNPSR1MEN1KMT2AALDH1A1
SCHEMBL6711975 0.80 TRPA1 (0.46) MEN1KMT2AROCK2
SCHEMBL6710030 0.80 ROCK2 (0.45) MEN1KMT2AALDH1A1F2ROCK2
SCHEMBL6709087 0.78 TRPA1 (0.42) MAPTMEN1KMT2AROCK2

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-20040142981-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-07-22 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-20040142981-A1 Antibacterial benzoic acid derivatives GABRD, PHB1, GABBR1 BRD4 1588/4885PKLR 4338/4885MAPT 4754/4885

“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.