SCHEMBL2422728

SCHEMBL2422728

Cc1c(-c2ccccc2)[nH]c2ccc([N+](=O)[O-])cc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
POLB P06746 1/20 0.62
PKM P14618 1/20 0.62
NPY1R P25929 1/20 0.62
NPY2R P49146 1/20 0.62
CTSV O60911 1/20 0.57
CTSL P07711 1/20 0.57
PARP1 P09874 1/20 0.57
MAPT P10636 4/20 0.56
FASN P49327 1/20 0.55
HPGD P15428 1/20 0.55
CSF1R P07333 1/20 0.54
CYP19A1 P11511 1/20 0.52
F2 P00734 1/20 0.52
KDM4E B2RXH2 1/20 0.52
GAA P10253 1/20 0.52
LMNA P02545 1/20 0.51
CA12 O43570 1/20 0.49

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
SCHEMBL27580822 0.82 CTSV (0.53) ALDH1A1MEN1KMT2APOLBPKM
SCHEMBL10602238 0.82 ALOX5 (0.59) ALDH1A1MEN1KMT2APOLBPKM
Biphenyl SCHEMBL28097866 0.81 CTSV (0.70) ALDH1A1MEN1KMT2APOLBPKM
SCHEMBL10600299 0.80 ALDH1A1 (0.52) ALDH1A1MEN1KMT2APOLBPKM
SCHEMBL28110480 0.80 CTSV (0.60) ALDH1A1MEN1KMT2APOLBPKM
SCHEMBL9208428 0.80 MEN1 (0.54) ALDH1A1MEN1KMT2APOLBPKM
SCHEMBL30312308 0.79 ALDH1A1 (0.68) ALDH1A1MEN1KMT2APOLBPKM
SCHEMBL4011471 0.79 ALDH1A1 (0.68) ALDH1A1MEN1KMT2APOLBPKM
SCHEMBL11986717 0.78 F2 (0.63) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL16585681 0.77 CTSV (0.57) MEN1KMT2ACTSVCTSLPARP1

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 7 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
EP-2049480-A1 2-ARYLINDOLE DERIVATIVES AS NPGES-I INHIBITORS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.p.A. (IT) 2009-04-22 EP disclosed
WO-2008006663-A1 2-ARYLINDOLE DERIVATIVES AS NPGES-I INHIBITORS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2008-01-17 WO 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 ALDH1A1 796/4885MEN1 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.