SCHEMBL2425532

SCHEMBL2425532

CCn1c(-c2cccc(F)c2)cc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.52
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
CYP1A2 P05177 1/20 0.47
CFTR P13569 2/20 0.44
GRIK1 P39086 1/20 0.43
GRIK2 Q13002 1/20 0.43
IDO1 P14902 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
GFER P55789 1/20 0.39
F2RL3 Q96RI0 2/20 0.39
F2R P25116 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TRPV1 Q8NER1 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
SCHEMBL2419878 0.86 CYP19A1 (0.52) CYP19A1MEN1KMT2ALMNAMAPT
SCHEMBL2421702 0.86 CYP19A1 (0.69) CYP19A1MEN1KMT2ALMNAMAPT
SCHEMBL17199186 0.86 CYP19A1 (0.52) CYP19A1MEN1KMT2ALMNAMAPT
SCHEMBL17199253 0.85 CYP19A1 (0.49) CYP19A1MEN1KMT2ALMNAMAPT
SCHEMBL22683012 0.80 CYP19A1 (0.44) CYP19A1MEN1KMT2ALMNAMAPT
SCHEMBL2420756 0.80 MAPT (0.51) CYP19A1MEN1KMT2ALMNAMAPT
SCHEMBL17199255 0.79 CYP19A1 (0.52) CYP19A1MEN1KMT2ALMNAMAPT
SCHEMBL2419902 0.79 GRIK1 (0.48) MEN1KMT2AMAPTGRIK1GRIK2
SCHEMBL17199149 0.79 CYP19A1 (0.49) CYP19A1MEN1KMT2ALMNAMAPT
SCHEMBL22004132 0.77 ACLY (0.53) GRIK1GRIK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049480-B1 2-ARYLINDOLE DERIVATIVES AS mPGES-1 INHIBITORS ACRAF (IT) 2013-10-30 EP disclosed
CN-101490000-B 2-Arylindole derivatives as mPGEs-1 inhibitors ACRAF 2012-10-03 CN 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
CN-101490000-A 2-arylindole derivatives as NPGES-1 inhibitors ACRAF (IT) 2009-07-22 CN 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 CYP19A1 636/4885MEN1 4607/4885KMT2A 1109/4885

“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.