SCHEMBL5511292

SCHEMBL5511292

O=Cc1cc([N+](=O)[O-])ccc1-c1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.53
MAPT P10636 5/20 0.48
ALDH1A1 P00352 5/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
NPBWR1 P48145 2/20 0.48
LMNA P02545 2/20 0.48
HTT P42858 2/20 0.48
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
POLB P06746 2/20 0.46
XDH P47989 1/20 0.45
TDP1 Q9NUW8 3/20 0.43
PKM P14618 1/20 0.43
MCL1 Q07820 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PTPRC P08575 1/20 0.42
S100A4 P26447 1/20 0.42

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
SCHEMBL7930381 0.84 ERN1 (0.56) ERN1MAPTALDH1A1MEN1KMT2A
SCHEMBL31098731 0.83 ERN1 (0.67) ERN1MAPTALDH1A1MEN1KMT2A
SCHEMBL12798324 0.83 ERN1 (0.67) ERN1MAPTALDH1A1MEN1KMT2A
SCHEMBL6536285 0.81 ALDH1A1 (0.58) ERN1MAPTALDH1A1MEN1KMT2A
SCHEMBL9733977 0.80 HSD17B10 (0.58) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL28854793 0.79 XDH (0.62) ERN1MAPTALDH1A1SMN1; SMN2POLB
SCHEMBL307134 0.78 ERN1 (0.65) ERN1MAPTALDH1A1MEN1KMT2A
SCHEMBL3828843 0.78 ALDH1A1 (0.55) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL1242745 0.77 ERN1 (0.46) ERN1MAPTALDH1A1MEN1KMT2A
SCHEMBL9132865 0.77 MAPT (0.50) MAPTALDH1A1MEN1KMT2ARAB9A

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-20070032497-A1 Fused-ring compounds and use thereof as drugs JAPAN TOBACCO INC. (JP) 2007-02-08 US disclosed
US-7112600-B1 Fused-ring compounds and use thereof as drugs JAPAN TOBACCO INC. (JP) 2006-09-26 US disclosed
US-20040082635-A1 Viricide against hepatitis virus; polymerase inhibitor JAPAN TOBACCO INC. (JP) 2004-04-29 US disclosed
EP-1400241-A1 FUSED CYCLIC COMPOUNDS AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2004-03-24 EP 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-20040082635-A1 Viricide against hepatitis virus; polymerase inhibitor HAVCR2, ZC3HAV1, POLR1C ERN1 871/4885MAPT 3967/4885ALDH1A1 1133/4885
US-20070032497-A1 Fused-ring compounds and use thereof as drugs HAVCR2, ZC3HAV1, HLA-C ERN1 1788/4885MAPT 3203/4885ALDH1A1 679/4885

“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.