SCHEMBL6732583

SCHEMBL6732583

Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.64
ALDH1A1 P00352 4/20 0.57
KDM4E B2RXH2 2/20 0.57
GAA P10253 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
MAPK1 P28482 3/20 0.54
NQO2 P16083 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
PDE4B Q07343 1/20 0.54
GABRP O00591 1/20 0.52
GABRD O14764 1/20 0.52
GABRA1 P14867 1/20 0.52
GABRB1 P18505 1/20 0.52
GABRG2 P18507 1/20 0.52
GABRB3 P28472 1/20 0.52
GABRA5 P31644 1/20 0.52
GABRA3 P34903 1/20 0.52
GABRA2 P47869 1/20 0.52

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
SCHEMBL13080111 0.81 MAPT (0.61) MAPTALDH1A1KDM4EGAAL3MBTL1
SCHEMBL6732581 0.81 MAPT (0.64) MAPTALDH1A1KDM4EGAAL3MBTL1
SCHEMBL13051335 0.80 MAPT (0.59) MAPTALDH1A1KDM4EGAAL3MBTL1
SCHEMBL2615714 0.80 MAPT (0.55) MAPTALDH1A1NPC1RAB9ANQO2
SCHEMBL16085444 0.79 MAPT (0.70) MAPTALDH1A1KDM4EGAAL3MBTL1
SCHEMBL1960867 0.78 MAPT (1.00) MAPTALDH1A1KDM4EGAAL3MBTL1
SCHEMBL2323398 0.78 MAPT (0.61) MAPTALDH1A1KDM4EGAAL3MBTL1
SCHEMBL13719362 0.78 MAPT (0.57) MAPTALDH1A1KDM4EGAAL3MBTL1
SCHEMBL2029810 0.77 MAPT (0.71) MAPTALDH1A1KDM4EGAAL3MBTL1
SCHEMBL11155282 0.77 MAPT (0.52) MAPTALDH1A1KDM4EGAAL3MBTL1

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-20040014764-A1 N-myristoyltransferase inhibitor compositions and methods of use SMITH CHARLES D (US) 2004-01-22 US claimed
US-20090221559-A1 BENZODIAZEPINES AS HCV INHIBITORS BONFANTI JEAN-FRANCOIS 2009-09-03 US disclosed
US-20090221559-A1 BENZODIAZEPINES AS HCV INHIBITORS BONFANTI JEAN-FRANCOIS 2009-09-03 US disclosed
US-20080312435-A1 Imine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 US disclosed
US-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2007-11-29 US disclosed
US-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2007-11-29 US disclosed
US-20040014764-A1 N-myristoyltransferase inhibitor compositions and methods of use SMITH CHARLES D (US) 2004-01-22 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 (4 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-20080312435-A1 Imine Compound CNR1, CNR2, HRH4 MAPT 4160/4885ALDH1A1 2674/4885KDM4E 3386/4885
US-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor SERPINE1, SERPINC1, SERPINB1 MAPT 4163/4885ALDH1A1 1861/4885KDM4E 3789/4885
US-20090221559-A1 BENZODIAZEPINES AS HCV INHIBITORS GABRA5, GABRA4, GABRA3 MAPT 1578/4885ALDH1A1 372/4885KDM4E 983/4885
US-20040014764-A1 N-myristoyltransferase inhibitor compositions and methods of use NMT2, NMT1, MBOAT1 MAPT 133/4885ALDH1A1 4793/4885KDM4E 1510/4885

“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.