SCHEMBL5449055

SCHEMBL5449055

CC(Sc1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1C)C(=O)N(C)C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.46
ACHE P22303 3/20 0.41
LIPE Q05469 3/20 0.41
MAPK14 Q16539 4/20 0.41
BCHE P06276 2/20 0.39
TYMP P19971 1/20 0.39
MAPK10 P53779 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
SLC22A12 Q96S37 1/20 0.37

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
SCHEMBL5451982 0.86 MAPK14 (0.44) ACHELIPEMAPK14BCHEMAPK10
SCHEMBL14033094 0.70 MAPK14 (0.58) MAPK14MAPK10MAPK13MAPK12MAPK11
SCHEMBL4085388 0.68 CNR1 (0.67) CNR1
SCHEMBL11016914 0.66 KMT2A (0.43) MAPK14ALDH1A1MAPK13MAPK12MAPK11
SCHEMBL11622732 0.64 ACHE (0.41) ACHELIPEBCHEALDH1A1
SCHEMBL5104394 0.64 MAPK14 (0.66) MAPK14MAPK10MAPK13MAPK12MAPK11
SCHEMBL11621698 0.63 CCNC (0.41) ACHELIPEBCHEALDH1A1CYP1A2
SCHEMBL31582403 0.63 ALDH1A1 (0.58) ALDH1A1
SCHEMBL4085484 0.63 CNR1 (1.00) CNR1
SCHEMBL4076019 0.62 CNR1 (1.00) CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070185169-A1 2-Mercapto-4,5-Diarylimidazole Derivatives and the use thereof as Cyclooxygenase Inhibitors BEIERSDORF, AG 2007-08-09 US disclosed
US-7223781-B2 2-mercapto-4,5-diarylimidazole derivatives and the use thereof as cyclooxygenase inhibitors BEIERSDORF AG (DE) 2007-05-29 US disclosed
US-20040116695-A1 2-Mercapto-4,5-diarylimidazole derivatives and the use thereof as cyclooxygenase inhibitors BEIERSDORF AG (DE) 2004-06-17 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-20070185169-A1 2-Mercapto-4,5-Diarylimidazole Derivatives and the use thereof as Cyclooxygenase Inhibitors PTGS2, PTGES2, DHFR CNR1 2128/4885ACHE 1428/4885LIPE 3803/4885

“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.