SCHEMBL863876

SCHEMBL863876

CC(=O)Nc1cc(Cl)c(C)cc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.53
MAPT P10636 4/20 0.51
NPSR1 Q6W5P4 2/20 0.51
KMT2A Q03164 2/20 0.49
HTT P42858 3/20 0.49
POLB P06746 2/20 0.48
ALDH1A1 P00352 2/20 0.48
GALR2 O43603 1/20 0.48
MITF O75030 1/20 0.48
LMNA P02545 1/20 0.48
HSP90AA1 P07900 1/20 0.48
HPGD P15428 1/20 0.48
XBP1 P17861 1/20 0.48
CCR6 P51684 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PDE7A Q13946 1/20 0.46
PKM P14618 1/20 0.46
RECQL P46063 1/20 0.46
PPIA P62937 1/20 0.45
TP53 P04637 1/20 0.44

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
SCHEMBL405563 0.94 MAPT (0.51) SLC9A1MAPTNPSR1KMT2AHTT
SCHEMBL5606205 0.89 MAPT (0.49) SLC9A1MAPTKMT2AHTTALDH1A1
SCHEMBL8513944 0.89 MAPT (0.55) SLC9A1MAPTNPSR1KMT2AHTT
SCHEMBL2972082 0.88 SLC9A1 (0.60) SLC9A1MAPTNPSR1KMT2AHTT
SCHEMBL27796244 0.87 SLC9A1 (0.56) SLC9A1MAPTNPSR1KMT2AHTT
SCHEMBL14903460 0.87 RECQL (0.57) SLC9A1MAPTNPSR1KMT2AHTT
SCHEMBL29725300 0.87 RECQL (0.57) SLC9A1MAPTNPSR1KMT2AHTT
SCHEMBL10936842 0.85 MAPT (0.55) SLC9A1MAPTNPSR1KMT2AHTT
SCHEMBL11252461 0.83 MAPT (0.50) SLC9A1MAPTNPSR1KMT2AHTT
SCHEMBL21989034 0.83 SLC9A1 (0.52) SLC9A1MAPTNPSR1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077781-A1 FLAVIN DERIVATIVES GADWOOD ROBERT (US) 2012-03-29 US disclosed
US-20120077781-A1 FLAVIN DERIVATIVES GADWOOD ROBERT (US) 2012-03-29 US disclosed
US-20120077781-A1 FLAVIN DERIVATIVES GADWOOD ROBERT (US) 2012-03-29 US disclosed
CN-102176825-A Flavin derivatives BIORELIX PHARMACEUTICALS INC 2011-09-07 CN disclosed
EP-2320734-A1 FLAVIN DERIVATIVES BioRelix, Inc. (US) 2011-05-18 EP disclosed
WO-2011023812-A1 MICROSOMAL PROSTAGLANDIN E SYNTHASE-1 (MPGES1) INHIBITORS NOVASAID AB (SE) 2011-03-03 WO disclosed
WO-2011023812-A1 MICROSOMAL PROSTAGLANDIN E SYNTHASE-1 (MPGES1) INHIBITORS NOVASAID AB (SE) 2011-03-03 WO disclosed
WO-2010019208-A1 FLAVIN DERIVATIVES BIORELIX PHARMACEUTICALS, INC. (US) 2010-02-18 WO disclosed
WO-2010019208-A1 FLAVIN DERIVATIVES BIORELIX PHARMACEUTICALS, INC. (US) 2010-02-18 WO disclosed
EP-1089982-B1 METHODS OF INHIBITING CORROSION USING ISOMERS OF CHLORO-METHYLBENZOTRIAZOLE BETZDEARBORN INC (US) 2006-08-30 EP disclosed
EP-1089982-A4 METHODS OF INHIBITING CORROSION USING ISOMERS OF CHLORO-METHYLBENZOTRIAZOLE BETZDEARBORN INC (US) 2005-04-06 EP disclosed
CN-1184210-C Methods of inhibiting corrosion using isomers of chloro-methylbenzotrazole BETZDEARBORN INC (US) 2005-01-12 CN disclosed
CN-1306517-A Methods of inhibiting corrosion using isomers of chloro-methylbenzotrazole BETZDEARBORN INC (US) 2001-08-01 CN disclosed
EP-1089982-A1 METHODS OF INHIBITING CORROSION USING ISOMERS OF CHLORO-METHYLBENZOTRIAZOLE BetzDearborn Inc (US) 2001-04-11 EP disclosed
WO-1999067222-A1 METHODS OF INHIBITING CORROSION USING ISOMERS OF CHLORO-METHYLBENZOTRIAZOLE BETZDEARBORN INC. (US) 1999-12-29 WO disclosed
US-5968408-A ODORLESS BETZDEARBORN INC. (US) 1999-10-19 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-20120077781-A1 FLAVIN DERIVATIVES BLVRB, FLAD1, FDPS SLC9A1 3718/4885MAPT 4674/4885NPSR1 4123/4885

“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.