SCHEMBL6709950

SCHEMBL6709950

CC(=O)OCC(=O)Nc1ccc2cc(C(=O)Nc3ccc(C#N)cc3-c3nnn[nH]3)n(C)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.39
HPGD P15428 2/20 0.34
GRM4 Q14833 1/20 0.34
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
USP2 O75604 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PKM P14618 1/20 0.33
ADORA2B P29275 3/20 0.33
ADORA2A P29274 2/20 0.33
ADORA1 P30542 2/20 0.33
RORC P51449 1/20 0.33
ROCK1 Q13464 1/20 0.32
CETP P11597 1/20 0.32
KDM4E B2RXH2 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
ADORA3 P0DMS8 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
SCHEMBL6708716 0.92 ROCK2 (0.40) ROCK2GRM4ALDH1A1LMNANPSR1
SCHEMBL6708533 0.89 USP2 (0.41) ROCK2HPGDGRM4ALDH1A1SMN1; SMN2
SCHEMBL6710142 0.89 ROCK2 (0.41) ROCK2GRM4SMN1; SMN2ROCK1CYP1A2
SCHEMBL6710229 0.89 NAMPT (0.40) ROCK2HPGDGRM4ALDH1A1PKM
SCHEMBL6708928 0.89 PKM (0.38) HPGDGRM4ALDH1A1NPSR1SMN1; SMN2
SCHEMBL7159445 0.88 ROCK2 (0.40) ROCK2GRM4ALDH1A1RORCCYP1A2
SCHEMBL6708925 0.85 ADORA2B (0.36) ROCK2HPGDGRM4LMNANPSR1
SCHEMBL6710360 0.84 TDP2 (0.41) ROCK2GRM4ROCK1
SCHEMBL6708021 0.83 MAPT (0.41) ROCK2HPGDALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL6708650 0.82 ROCK2 (0.40) ROCK2GRM4CYP1A2KMT2A

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 ROCK2 4868/4885HPGD 1253/4885GRM4 4668/4885

“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.