SCHEMBL1462241

SCHEMBL1462241

CC(=O)Nc1ccn(-c2ccc([N+](=O)[O-])cc2)n1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.65
HTT P42858 2/20 0.65
TSHR P16473 1/20 0.65
HSD17B10 Q99714 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
ALDH1A1 P00352 2/20 0.55
KDM4E B2RXH2 1/20 0.55
CYP1A2 P05177 1/20 0.54
GAA P10253 1/20 0.54
DYRK1A Q13627 1/20 0.49
KMT2A Q03164 2/20 0.46
CSNK2A2 P19784 1/20 0.45
CSNK2B P67870 1/20 0.45
CSNK2A1 P68400 1/20 0.45
ELOVL1 Q9BW60 5/20 0.44
MEN1 O00255 1/20 0.44
HSP90AA1 P07900 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL27312015 0.77 HTT (0.57) MAPTHTTTSHRHSD17B10L3MBTL1
SCHEMBL1462240 0.76 MAPT (0.58) MAPTHTTTSHRHSD17B10L3MBTL1
Nitrobenzene SCHEMBL28244051 0.76 MAPT (0.51) MAPTHTTTSHRHSD17B10L3MBTL1
SCHEMBL20503479 0.76 GAA (0.48) MAPTALDH1A1KDM4ECYP1A2GAA
SCHEMBL15352874 0.74 HTT (0.66) MAPTHTTALDH1A1KDM4EGAA
SCHEMBL19456984 0.74 HTT (1.00) MAPTHTTHSD17B10ALDH1A1KDM4E
SCHEMBL27315259 0.74 HTT (0.60) MAPTHTTALDH1A1KDM4EKMT2A
SCHEMBL19456939 0.73 HTT (0.64) MAPTHTTALDH1A1KDM4EKMT2A
SCHEMBL27312016 0.72 HTT (0.59) MAPTHTTTSHRALDH1A1KDM4E
SCHEMBL9369399 0.72 HTT (0.68) MAPTHTTALDH1A1KMT2AMEN1

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
US-8933246-B2 Process for preparing 1-phenylpyrazoles BASF SE (DE) 2015-01-13 US disclosed
EP-2473485-B1 PROCESS FOR PREPARING 1-PHENYLPYRAZOLES BASF SE (DE) 2014-04-23 EP disclosed
US-20130131352-A1 Process for Preparing 1-phenylpyrazoles BASF SE (DE) 2013-05-23 US disclosed
US-8362271-B2 Process for preparing 1-phenylpyrazoles BASF SE (DE) 2013-01-29 US disclosed
EP-2473485-A1 PROCESS FOR PREPARING 1-PHENYLPYRAZOLES BASF SE (DE) 2012-07-11 EP disclosed
US-20120165544-A1 Process for Preparing 1-Phenylpyrazoles BASF SE (DE) 2012-06-28 US disclosed
WO-2011026937-A1 PROCESS FOR PREPARING 1-PHENYLPYRAZOLES BASF SE (DE) 2011-03-10 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 (2 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-20130131352-A1 Process for Preparing 1-phenylpyrazoles CBR1, CBR3, CYP1A1 MAPT 4574/4885HTT 2226/4885TSHR 148/4885
US-20120165544-A1 Process for Preparing 1-Phenylpyrazoles AP3B1, AP3M1, AP3D1 MAPT 4636/4885HTT 2827/4885TSHR 143/4885

“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.