Sugi Predict

Sugi Predict / Compounds / SCHEMBL1306609

SCHEMBL1306609

SCHEMBL1306609

O=C(/C=C/c1c[nH]c2ccccc12)NO

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.64
▸ MAPT P10636 4/20 0.64
▸ KMT2A Q03164 4/20 0.64
▸ ALDH1A1 P00352 3/20 0.64
▸ HPGD P15428 3/20 0.64
▸ NPC1 O15118 2/20 0.64
▸ RAB9A P51151 2/20 0.64
▸ SMN1; SMN2 Q16637 2/20 0.64
▸ NFKB1 P19838 1/20 0.64
▸ NFKB2 Q00653 1/20 0.64
▸ RELA Q04206 1/20 0.64
▸ BACE1 P56817 1/20 0.63
▸ HDAC8 Q9BY41 8/20 0.60
▸ HDAC6 Q9UBN7 8/20 0.60
▸ HDAC1 Q13547 8/20 0.60
▸ HDAC3 O15379 6/20 0.60
▸ HDAC4 P56524 6/20 0.60
▸ HDAC7 Q8WUI4 6/20 0.60
▸ HDAC2 Q92769 6/20 0.60
▸ HDAC10 Q969S8 6/20 0.60

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
SCHEMBL1306613 1.00 MEN1 (0.64) MEN1MAPTKMT2AALDH1A1HPGD
SCHEMBL13923635 0.86 KMT2A (0.62) MEN1MAPTKMT2AALDH1A1HPGD
SCHEMBL29374397 0.83 MEN1 (0.77) MEN1MAPTKMT2AALDH1A1HPGD
SCHEMBL531504 0.83 MEN1 (0.77) MEN1MAPTKMT2AALDH1A1HPGD
SCHEMBL31357475 0.83 MEN1 (0.77) MEN1MAPTKMT2AALDH1A1HPGD
SCHEMBL29453353 0.83 MEN1 (0.77) MEN1MAPTKMT2AALDH1A1HPGD
SCHEMBL15486687 0.83 MEN1 (0.77) MEN1MAPTKMT2AALDH1A1HPGD
SCHEMBL179873 0.83 MEN1 (0.77) MEN1MAPTKMT2AALDH1A1HPGD
SCHEMBL15486685 0.83 MEN1 (0.77) MEN1MAPTKMT2AALDH1A1HPGD
SCHEMBL25299753 0.81 MEN1 (0.60) MEN1MAPTKMT2AALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9260382-B2 Methods of reducing virulence in bacteria UWM RESEARCH FOUNDATION (US) 2016-02-16 — — US disclosed
US-9260382-B2 Methods of reducing virulence in bacteria UWM RESEARCH FOUNDATION (US) 2016-02-16 — — US disclosed
US-9260382-B2 Methods of reducing virulence in bacteria UWM RESEARCH FOUNDATION (US) 2016-02-16 — — US disclosed
US-20120322769-A1 METHODS OF REDUCING VIRULENCE IN BACTERIA DUKE UNIVERSITY (US) 2012-12-20 — — US disclosed
US-20120322769-A1 METHODS OF REDUCING VIRULENCE IN BACTERIA DUKE UNIVERSITY (US) 2012-12-20 — — US disclosed
US-20120322769-A1 METHODS OF REDUCING VIRULENCE IN BACTERIA DUKE UNIVERSITY (US) 2012-12-20 — — US disclosed
US-8053460-B2 Chemoosensitizer for dug resistance tumors SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2011-11-08 — — US disclosed
WO-2011103189-A1 METHODS OF REDUCING VIRULENCE IN BACTERIA UWM RESEARCH FOUNDATION, INC. (US) 2011-08-25 — — WO disclosed
US-20080207729-A1 Chemoosensitizer for dug resistance tumors SIGMA-TAU FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-08-28 — — 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 (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-20080207729-A1 Chemoosensitizer for dug resistance tumors UTS2R, ABCC1, SLC11A2 MEN1 1003/4885MAPT 3831/4885KMT2A 3449/4885
US-20120322769-A1 METHODS OF REDUCING VIRULENCE IN BACTERIA PGLS, RRS1, MRPL21 MEN1 4105/4885MAPT 4865/4885KMT2A 3101/4885

“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.