SCHEMBL12285155

SCHEMBL12285155

CCn1c(-c2ccc(OC)cc2)cc2cc(NC(=O)c3ccccc3Cl)ccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 8/20 0.55
▸ GRIK1 P39086 1/20 0.54
▸ GRIK2 Q13002 1/20 0.54
▸ MAPT P10636 6/20 0.49
▸ LMNA P02545 2/20 0.49
▸ TP53 P04637 2/20 0.49
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ CYP3A4 P08684 2/20 0.48
▸ CYP2C9 P11712 2/20 0.48
▸ CYP2C19 P33261 2/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47

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
SCHEMBL12285123 0.91 PTGES (0.54) PTGESMAPTLMNATP53MEN1
SCHEMBL12284788 0.90 PTGES (0.57) PTGESGRIK1GRIK2MAPTTP53
SCHEMBL12284817 0.89 PTGES (0.57) PTGESMAPTTP53MEN1KMT2A
SCHEMBL12284791 0.88 PTGES (0.68) PTGESMAPTTP53HTTALDH1A1
SCHEMBL12285128 0.88 PTGES (0.53) PTGESGRIK1GRIK2MAPTTP53
SCHEMBL12285129 0.86 PTGES (0.59) PTGESMAPTTP53RAB9ACHRM5
SCHEMBL12285144 0.86 PTGES (0.58) PTGESMAPTLMNATP53KDM4E
SCHEMBL12284921 0.85 PTGES (0.53) PTGESMAPTTP53MEN1KMT2A
SCHEMBL12285020 0.85 PTGES (0.56) PTGESMAPTTP53RAB9ACHRM5
SCHEMBL12284815 0.83 KCNK3 (0.52) PTGESMAPTTP53MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8017644-B2 2-arylindole derivatives as nPGES-1 inhibitors AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2011-09-13 — — US disclosed
US-8017644-B2 2-arylindole derivatives as nPGES-1 inhibitors AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2011-09-13 — — US disclosed
US-20090186922-A1 2-ARYLINDOLE DERIVATIVES AS NPGES-I INHIBITORS AZIENDE CHIM. RIUN. ANG. FRANC. A.C.R.A.F. S.P.A. (IT) 2009-07-23 — — US disclosed
US-20090186922-A1 2-ARYLINDOLE DERIVATIVES AS NPGES-I INHIBITORS AZIENDE CHIM. RIUN. ANG. FRANC. A.C.R.A.F. S.P.A. (IT) 2009-07-23 — — 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-20090186922-A1 2-ARYLINDOLE DERIVATIVES AS NPGES-I INHIBITORS PTGES, NAT1, CSNK1G2 PTGES 1/4885GRIK1 1260/4885GRIK2 773/4885

“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.

Send feedback