SCHEMBL6869127

SCHEMBL6869127

COc1ccc(CN2Cc3c(-c4ccccc4Cl)cc(C(C)(O)CN4CCN(C(=O)O)CC4)cc3N(c3c(Cl)cccc3Cl)C2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.41
CHRM5 P08912 1/20 0.37
FAAH O00519 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPK1 P28482 1/20 0.34
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
CHRM3 P20309 1/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
TSHR P16473 1/20 0.33
CASP1 P29466 1/20 0.33
HTT P42858 1/20 0.33
CASP7 P55210 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CLPP Q16740 1/20 0.33

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
SCHEMBL6666584 0.92 MAPK14 (0.41) MAPK14CHRM5ALDH1A1LMNASMN1; SMN2
SCHEMBL6668236 0.80 MAPK14 (0.50) MAPK14CHRM5
SCHEMBL6668442 0.79 MAPK14 (0.41) MAPK14CHRM5ALDH1A1CHRM3LMNA
SCHEMBL6647613 0.78 MAPK14 (0.61) MAPK14CHRM5
SCHEMBL6667945 0.78 MAPK14 (0.53) MAPK14CHRM5GAATSHR
SCHEMBL6667226 0.78 MAPK14 (0.51) MAPK14CHRM5GAATSHR
SCHEMBL6668734 0.77 MAPK14 (0.48) MAPK14CHRM5
SCHEMBL6669602 0.76 ALDH1A1 (0.49) MAPK14ALDH1A1MAPK1HTT
SCHEMBL6866768 0.76 MAPK14 (0.43) MAPK14CHRM5ALDH1A1GAATSHR
SCHEMBL6644394 0.76 MAPK14 (0.48) MAPK14CHRM5ALDH1A1MAPK1LMNA

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 2 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
US-20030092712-A1 (Halo-benzo carbonyl)heterocyclo fused phenyl p38 kinase inhibiting agents MERCK SHARP & DOHME CORP. 2003-05-15 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-20030092712-A1 (Halo-benzo carbonyl)heterocyclo fused phenyl p38 kinase inhibiting agents MAPK1, MAPK7, MAPKAPK2 MAPK14 5/4885CHRM5 4865/4885FAAH 1419/4885

“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.