SCHEMBL16330106

SCHEMBL16330106

Cc1cc(CBr)c([N+](=O)[O-])cc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
ALDH1A1 P00352 5/20 0.43
TDP1 Q9NUW8 4/20 0.43
MAPT P10636 3/20 0.43
HTT P42858 2/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
HSP90AA1 P07900 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
CCR6 P51684 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NLRP1 Q9C000 1/20 0.43
PDGFRB P09619 1/20 0.42
FGFR1 P11362 1/20 0.42
PDGFRA P16234 1/20 0.42
FLT1 P17948 1/20 0.42
FGFR3 P22607 1/20 0.42
KDR P35968 1/20 0.42
SNCA P37840 1/20 0.41

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
SCHEMBL1827834 0.85 MEN1 (0.41) CYP1A2ALDH1A1TDP1MAPTALOX15
SCHEMBL21129793 0.85 MEN1 (0.44) CYP1A2ALDH1A1TDP1MAPTHTT
SCHEMBL8460305 0.85 SNCA (0.48) CYP1A2ALDH1A1MAPTALOX15ALOX12
SCHEMBL23257600 0.84 MAPT (0.46) CYP1A2ALDH1A1TDP1MAPTHTT
SCHEMBL31039440 0.84 MAPT (0.46) CYP1A2ALDH1A1TDP1MAPTHTT
SCHEMBL26977016 0.83 SNCA (0.47) CYP1A2ALDH1A1TDP1MAPTALOX15
SCHEMBL19361406 0.83 ALDH1A1 (0.46) CYP1A2ALDH1A1TDP1MAPTALOX15
SCHEMBL18138434 0.82 CYP1A2 (0.46) CYP1A2ALDH1A1TDP1MAPTHTT
SCHEMBL18069669 0.81 ALOX15 (0.53) CYP1A2ALDH1A1TDP1MAPTHTT
SCHEMBL10759125 0.80 ALDH1A1 (0.50) CYP1A2ALDH1A1TDP1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160264626-A1 METHOD FOR PRODUCING PEPTIDE HYDRAZIDE, PEPTIDE AMIDE, AND PEPTIDE THIOESTER AJINOMOTO CO., INC. (JP) 2016-09-15 US disclosed
US-20160215093-A1 STABLE HELICAL IONIC POLYPEPTIDES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2016-07-28 US disclosed
US-9243040-B2 Stable helical ionic polypeptides THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2016-01-26 US disclosed
US-20130274173-A1 STABLE HELICAL IONIC POLYPEPTIDES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2013-10-17 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 (3 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-20160264626-A1 METHOD FOR PRODUCING PEPTIDE HYDRAZIDE, PEPTIDE AMIDE, AND PEPTIDE THIOESTER VIP, PPT1, NPPA CYP1A2 2945/4885ALDH1A1 2688/4885TDP1 4253/4885
US-20130274173-A1 STABLE HELICAL IONIC POLYPEPTIDES GHITM, SLC7A1, PICALM CYP1A2 4860/4885ALDH1A1 4790/4885TDP1 4312/4885
US-20160215093-A1 STABLE HELICAL IONIC POLYPEPTIDES GHITM, SLC7A1, PICALM CYP1A2 4860/4885ALDH1A1 4790/4885TDP1 4312/4885

“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.