SCHEMBL19399643

SCHEMBL19399643

COc1ccc(Oc2cccc([N+](=O)[O-])c2)c(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.61
ALDH1A1 P00352 7/20 0.61
MEN1 O00255 6/20 0.61
KMT2A Q03164 6/20 0.61
LMNA P02545 5/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
HPGD P15428 4/20 0.59
PDE7A Q13946 1/20 0.56
GAA P10253 1/20 0.51
PKM P14618 1/20 0.51
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
KDM4E B2RXH2 1/20 0.50
GPR55 Q9Y2T6 1/20 0.50
NFE2L2 Q16236 1/20 0.49
HSP90AA1 P07900 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TBXA2R P21731 1/20 0.47
NPC1 O15118 1/20 0.47
CYP1A2 P05177 1/20 0.47

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
SCHEMBL4790993 0.90 MAPT (0.71) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL4964438 0.85 MEN1 (0.58) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL23647482 0.84 HSPB1 (0.55) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL30334863 0.82 NFE2L2 (0.55) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL25386626 0.82 NFE2L2 (0.55) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL28317163 0.82 MEN1 (0.58) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL30059246 0.82 LMNA (0.61) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL515302 0.82 LMNA (0.61) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL28218708 0.82 LMNA (0.61) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL10596737 0.81 MEN1 (0.56) MAPTALDH1A1MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170275279-A1 SPECIFIC INHIBITORS OF METHIONYL-TRNA SYNTHETASE UNIVERSITY OF WASHINGTON 2017-09-28 US disclosed
US-20170275279-A1 SPECIFIC INHIBITORS OF METHIONYL-TRNA SYNTHETASE UNIVERSITY OF WASHINGTON 2017-09-28 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-20170275279-A1 SPECIFIC INHIBITORS OF METHIONYL-TRNA SYNTHETASE AARS1, MTR, GARS1 MAPT 3016/4885ALDH1A1 2330/4885MEN1 2418/4885

“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.