SCHEMBL2421702

SCHEMBL2421702

CCn1c(-c2ccccc2)cc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.69
GRIK1 P39086 1/20 0.58
GRIK2 Q13002 1/20 0.58
MAPT P10636 3/20 0.56
MEN1 O00255 2/20 0.56
LMNA P02545 2/20 0.56
KMT2A Q03164 2/20 0.56
CYP1A2 P05177 1/20 0.52
CFTR P13569 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.46
F2RL3 Q96RI0 5/20 0.45
F2R P25116 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALDH1A1 P00352 1/20 0.44
CCR2 P41597 1/20 0.42
PTGS2 P35354 2/20 0.42

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 0.87 CYP19A1 (0.52) CYP19A1GRIK1GRIK2MAPTMEN1
SCHEMBL17199255 0.87 CYP19A1 (0.52) CYP19A1GRIK1GRIK2MAPTMEN1
SCHEMBL17199186 0.86 CYP19A1 (0.52) CYP19A1GRIK1GRIK2MAPTMEN1
SCHEMBL2425532 0.86 CYP19A1 (0.52) CYP19A1GRIK1GRIK2MAPTMEN1
SCHEMBL2123821 0.85 CYP19A1 (0.67) CYP19A1GRIK1GRIK2MAPTMEN1
SCHEMBL30943220 0.85 CYP19A1 (0.67) CYP19A1GRIK1GRIK2MAPTMEN1
SCHEMBL2122743 0.84 CYP19A1 (0.66) CYP19A1MAPTMEN1LMNAKMT2A
SCHEMBL16087011 0.84 CYP19A1 (0.66) CYP19A1GRIK1GRIK2MAPTMEN1
SCHEMBL3660283 0.84 L3MBTL1 (0.64) CYP19A1MAPTMEN1LMNAKMT2A
SCHEMBL2900943 0.84 CYP19A1 (0.65) CYP19A1GRIK1GRIK2MAPTMEN1

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 636/4885GRIK1 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.