SCHEMBL6707833

SCHEMBL6707833

Cn1c(C(=O)Nc2ccc(Cl)cc2-c2nnn[nH]2)cc2cccc(NC(=O)CF)c21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.36
GRM4 Q14833 1/20 0.35
ROCK1 Q13464 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
LMNA P02545 3/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
THRB P10828 1/20 0.32
SCN10A Q9Y5Y9 1/20 0.32
POLB P06746 1/20 0.32
KDR P35968 1/20 0.32
TP53 P04637 2/20 0.31
KDM1A O60341 2/20 0.31
GPR35 Q9HC97 1/20 0.31
CACNA1G O43497 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL6918267 0.93 TSHR (0.35) HDAC3HDAC1LMNAALDH1A1MAPT
SCHEMBL6711867 0.90 HIF1A (0.37) RXFP1LMNAALDH1A1KMT2ANPSR1
SCHEMBL6707663 0.89 TSHR (0.37) HDAC3HDAC1LMNAALDH1A1MAPT
SCHEMBL6714173 0.88 GRM4 (0.47) RXFP1GRM4ROCK1HDAC3HDAC1
SCHEMBL6708677 0.88 PKM (0.34) LMNAMAPTTHRBKDM1A
SCHEMBL6708796 0.86 RXFP1 (0.39) RXFP1GRM4ROCK1LMNAMEN1
SCHEMBL6712526 0.85 RXFP1 (0.39) RXFP1GRM4ROCK1LMNANPSR1
SCHEMBL6710283 0.85 KDM4E (0.39) RXFP1ROCK1LMNAMEN1ALDH1A1
SCHEMBL6711863 0.84 GRM4 (0.37) RXFP1GRM4ROCK1LMNAMEN1
SCHEMBL6710144 0.84 ROCK1 (0.39) RXFP1GRM4ROCK1LMNAMEN1

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 RXFP1 3836/4885GRM4 4668/4885ROCK1 4830/4885

“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.