SCHEMBL6707965

SCHEMBL6707965

Cn1c(C(=O)Nc2ccc(C#N)cc2-c2nnn[nH]2)cc2cccc(-c3ccccc3C(F)(F)F)c21

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 6/20 0.35
ACP1 P24666 1/20 0.34
THRB P10828 1/20 0.33
RXFP1 Q9HBX9 2/20 0.32
TRPA1 O75762 2/20 0.32
WDR5 P61964 1/20 0.31
PKM P14618 1/20 0.31
SLC22A12 Q96S37 1/20 0.31
HSD11B1 P28845 2/20 0.31
KMT2A Q03164 1/20 0.31
ABCC9 O60706 1/20 0.31
ABCC8 Q09428 1/20 0.31
KCNJ11 Q14654 1/20 0.31
KCNJ8 Q15842 1/20 0.31

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
SCHEMBL6711902 0.90 THRB (0.37) THRBTRPA1PKMKMT2A
SCHEMBL6708989 0.89 LMNA (0.38) THRBTRPA1PKMKMT2A
SCHEMBL6709863 0.88 HIF1A (0.38) NTRK1RXFP1HSD11B1KMT2A
SCHEMBL6711396 0.88 HSD11B1 (0.38) RXFP1HSD11B1
SCHEMBL6710210 0.88 GSK3A (0.36) THRBTRPA1KMT2A
SCHEMBL6712448 0.87 KDM4E (0.36)
SCHEMBL6710172 0.86 ROCK2 (0.35) NTRK1TRPA1WDR5SLC22A12HSD11B1
SCHEMBL6710104 0.85 TRPA1 (0.33) THRBTRPA1PKMKMT2A
SCHEMBL6713833 0.85 CXCR1 (0.34) THRBRXFP1TRPA1PKMKMT2A
SCHEMBL6710331 0.85 NR1H4 (0.38) KMT2A

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 NTRK1 3519/4885ACP1 4039/4885THRB 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.