SCHEMBL6669858

SCHEMBL6669858

COc1ccc(CN2Cc3c(Br)cc([N+](=O)[O-])cc3N(c3c(Cl)cccc3Cl)C2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.41
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 3/20 0.38
MAPK14 Q16539 2/20 0.37
DRD4 P21917 1/20 0.36
DCTPP1 Q9H773 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KCNJ1 P48048 1/20 0.36
KCNH2 Q12809 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL6670558 0.89 CHRM5 (0.47) CHRM5MEN1KMT2AGAAMAPT
SCHEMBL6672647 0.88 MAPK14 (0.48) CHRM5MEN1KMT2AGAAMAPT
SCHEMBL6668375 0.84 CHRM5 (0.43) CHRM5MEN1KMT2AGAAMAPT
SCHEMBL6668033 0.84 CHRM5 (0.43) CHRM5MEN1KMT2AGAAMAPT
SCHEMBL6643544 0.82 MAPK14 (0.47) CHRM5MAPK14SMN1; SMN2HDAC6
SCHEMBL6869827 0.81 POLB (0.44) CHRM5MEN1KMT2AGAAMAPT
SCHEMBL6693983 0.76 HDAC6 (0.45) MAPK14SMN1; SMN2HDAC6
SCHEMBL6669779 0.75 CHRM5 (0.35) CHRM5MEN1KMT2AMAPK14
SCHEMBL6667226 0.75 MAPK14 (0.51) CHRM5MEN1KMT2AGAAMAPK14
SCHEMBL6667945 0.75 MAPK14 (0.53) CHRM5MEN1KMT2AGAAMAPK14

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 CHRM5 4865/4885MEN1 4765/4885KMT2A 3385/4885

“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.