SCHEMBL6835753

SCHEMBL6835753

CC(=O)OCC(=O)Nc1ccc2cc(C(=O)Nc3ccc(C#N)cc3C(=O)O)n(C)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 2/20 0.37
PKM P14618 1/20 0.37
ALDH1A1 P00352 2/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALB P02768 3/20 0.37
RORC P51449 1/20 0.36
GRM4 Q14833 1/20 0.36
TRPM4 Q8TD43 1/20 0.35
F2 P00734 1/20 0.35
PLG P00747 1/20 0.35
PLAU P00749 1/20 0.35
KLKB1 P03952 1/20 0.35
PRSS1 P07477 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL6833234 0.91 KDM4C (0.43) ROCK2SMN1; SMN2ALDH1A1USP2LMNA
SCHEMBL6833880 0.88 ALB (0.46) ROCK2ALDH1A1USP2LMNANPSR1
SCHEMBL6818253 0.87 ROCK2 (0.42) ROCK2SMN1; SMN2LMNAALBGRM4
SCHEMBL6817988 0.87 NAMPT (0.43) ROCK2SMN1; SMN2PKMALDH1A1ALB
SCHEMBL7128394 0.85 SMN1; SMN2 (0.37) ROCK2SMN1; SMN2HPGDPKMALDH1A1
SCHEMBL6814610 0.84 ROCK2 (0.41) ROCK2ALDH1A1LMNAALBGRM4
SCHEMBL6709950 0.82 ROCK2 (0.39) ROCK2SMN1; SMN2HPGDPKMALDH1A1
SCHEMBL6835744 0.81 ALB (0.43) ROCK2ALDH1A1ALBGRM4
SCHEMBL6708925 0.81 ADORA2B (0.36) ROCK2SMN1; SMN2HPGDLMNANPSR1
SCHEMBL6835702 0.80 MAPT (0.47) SMN1; SMN2HPGDALDH1A1LMNAL3MBTL1

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-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 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-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 ROCK2 4866/4885SMN1; SMN2 2022/4885HPGD 1657/4885

“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.