SCHEMBL6707775

SCHEMBL6707775

Cn1c(C(=O)Nc2ccc(C#N)cc2-c2noc(=O)[nH]2)cc2ccc(NC(=O)c3ccc(OC(F)(F)F)cc3)cc21

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 10/20 0.42
TDP2 O95551 1/20 0.39
THRB P10828 1/20 0.39
ITK Q08881 1/20 0.38
TRPV1 Q8NER1 2/20 0.38
NTRK1 P04629 1/20 0.38
MEN1 O00255 1/20 0.37
GALK1 P51570 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 1/20 0.37
ROCK2 O75116 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
SCHEMBL6709012 0.90 ABL1 (0.45) ABL1THRBTRPV1MEN1GALK1
SCHEMBL6710123 0.90 ABL1 (0.43) ABL1THRBTRPV1MEN1GALK1
SCHEMBL6710151 0.86 ROCK2 (0.40) ABL1TDP2THRBITKTRPV1
SCHEMBL6710082 0.85 ROCK2 (0.37) THRBROCK2
SCHEMBL6707687 0.84 PYGM (0.39) ABL1THRBMEN1KMT2AROCK2
SCHEMBL6710026 0.84 ROCK2 (0.41) MEN1KMT2AMAPTROCK2
SCHEMBL6707688 0.83 ADORA2B (0.38) THRBROCK2
SCHEMBL6709892 0.82 RAB9A (0.41) MEN1KMT2AMAPTROCK2
SCHEMBL6713177 0.82 NAMPT (0.39) THRBROCK2
SCHEMBL6713409 0.82 TDP2 (0.42) TDP2ROCK2

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 2 patents. 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
WO-2004018461-A2 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 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-20040142981-A1 Antibacterial benzoic acid derivatives GABRD, PHB1, GABBR1 ABL1 344/4885TDP2 3788/4885THRB 4472/4885

“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.