SCHEMBL6643544

SCHEMBL6643544

COC(=O)c1cc(Br)c2c(c1)N(c1c(Cl)cccc1Cl)C(=O)N(Cc1ccc(OC)cc1)C2

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.47
HDAC6 Q9UBN7 1/20 0.43
CHRM5 P08912 1/20 0.41
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HDAC1 Q13547 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL6693983 0.91 HDAC6 (0.45) MAPK14HDAC6ALDH1A1KDM4EHDAC1
SCHEMBL6670558 0.89 CHRM5 (0.47) MAPK14HDAC6CHRM5ALDH1A1SMN1; SMN2
SCHEMBL6668033 0.86 CHRM5 (0.43) MAPK14HDAC6CHRM5ALDH1A1HDAC1
SCHEMBL6668375 0.84 CHRM5 (0.43) MAPK14HDAC6CHRM5ALDH1A1SMN1; SMN2
SCHEMBL6669858 0.82 CHRM5 (0.41) MAPK14HDAC6CHRM5SMN1; SMN2
SCHEMBL6668236 0.80 MAPK14 (0.50) MAPK14HDAC6CHRM5
SCHEMBL6668734 0.79 MAPK14 (0.48) MAPK14HDAC6CHRM5
SCHEMBL6669779 0.75 CHRM5 (0.35) MAPK14CHRM5
SCHEMBL6667226 0.75 MAPK14 (0.51) MAPK14CHRM5
SCHEMBL6667945 0.75 MAPK14 (0.53) MAPK14CHRM5

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6809199-B2 ANTIINFLAMMATORY AGENTS; RHEUMATIC DISEASES MERCK & CO., INC. 2004-10-26 US disclosed
EP-1345603-A4 (HALO-BENZO CARBONYL)HETEROCYCLO FUSED PHENYL P38 KINASE INHIBITING AGENTS MERCK & CO INC (US) 2004-09-08 EP disclosed
EP-1345603-A1 (HALO-BENZO CARBONYL)HETEROCYCLO FUSED PHENYL P38 KINASE INHIBITING AGENTS Merck & Co., Inc. (US) 2003-09-24 EP disclosed
WO-2002058695-A9 (HALO-BENZO CARBONYL)HETEROCYCLO FUSED PHENYL P38 KINASE INHIBITING AGENTS MERCK & CO INC (US) 2003-09-12 WO disclosed
US-20030092712-A1 (Halo-benzo carbonyl)heterocyclo fused phenyl p38 kinase inhibiting agents MERCK SHARP & DOHME CORP. 2003-05-15 US disclosed
WO-2002058695-A1 (HALO-BENZO CARBONYL)HETEROCYCLO FUSED PHENYL P38 KINASE INHIBITING AGENTS MERCK & CO., INC. (US) 2002-08-01 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-20030092712-A1 (Halo-benzo carbonyl)heterocyclo fused phenyl p38 kinase inhibiting agents MAPK1, MAPK7, MAPKAPK2 MAPK14 5/4885HDAC6 92/4885CHRM5 4865/4885

“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.