Sugi Predict

Sugi Predict / Compounds / SCHEMBL3729672

SCHEMBL3729672

SCHEMBL3729672

O=c1ccc(CBr)cn1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.55
▸ KDM4E B2RXH2 2/20 0.55
▸ CYP1A2 P05177 2/20 0.55
▸ HPGD P15428 1/20 0.55
▸ BLM P54132 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ TRPA1 O75762 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CES2 O00748 1/20 0.39
▸ CES1 P23141 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ COMT P21964 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ MCL1 Q07820 1/20 0.36
▸ ATM Q13315 1/20 0.35
▸ DDB1 Q16531 1/20 0.35
▸ CRBN Q96SW2 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL13990963 0.86 ALDH1A1 (0.51) ALDH1A1KDM4ECYP1A2HPGDBLM
SCHEMBL147797 0.81 KDM4E (0.55) ALDH1A1KDM4ECYP1A2HPGDBLM
SCHEMBL146809 0.81 ALDH1A1 (0.55) ALDH1A1KDM4ECYP1A2HPGDBLM
SCHEMBL14194615 0.81 KDM4E (0.55) ALDH1A1KDM4ECYP1A2HPGDBLM
SCHEMBL312571 0.81 CYP1A2 (0.59) ALDH1A1KDM4ECYP1A2HPGDBLM
SCHEMBL23619123 0.81 ALDH1A1 (0.55) ALDH1A1KDM4ECYP1A2HPGDBLM
SCHEMBL20577901 0.80 KMT2A (0.38) ALDH1A1KDM4ETRPA1KMT2A
SCHEMBL4628901 0.79 PTGS2 (0.53) ALDH1A1KDM4ECYP1A2HPGDBLM
SCHEMBL15964171 0.79 ALDH1A1 (0.56) ALDH1A1KDM4ECYP1A2HPGDBLM
SCHEMBL3359441 0.79 ALDH1A1 (0.51) ALDH1A1KDM4ECYP1A2HPGDBLM

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108285431-B Pirfenidone related substance and preparation method and application thereof 北京康蒂尼药业股份有限公司 2021-04-09 — — CN disclosed
EP-3096758-A1 SUBSTITUTED N-ARYL PYRIDINONES Auspex Pharmaceuticals, Inc. (US) 2016-11-30 — — EP disclosed
US-9504677-B2 Substituted N-aryl pyridinones AUSPEX PHARMACEUTICALS, INC. (US) 2016-11-29 — — US disclosed
US-20160331734-A1 SUBSTITUTED N-ARYL PYRIDINONES AUSPEX PHARMACEUTICALS, INC. 2016-11-17 — — US disclosed
US-20150250777-A1 SUBSTITUTED N-ARYL PYRIDINONES PURETECH LYT 100, INC. 2015-09-10 — — US disclosed
WO-2015112701-A1 SUBSTITUTED N-ARYL PYRIDINONES AUSPEX PHARMACEUTICALS, INC. (US) 2015-07-30 — — WO disclosed
US-9062001-B2 Substituted N-aryl pyridinones AUSPEX PHARMACEUTICALS, INC. (US) 2015-06-23 — — US disclosed
US-20150126562-A1 SUBSTITUTED N-ARYL PYRIDONES AUSPEX PHARMACEUTICALS, INC. 2015-05-07 — — US disclosed
US-9018232-B2 Substituted N-aryl pyridinones AUSPEX PHARMACEUTICALS, INC. (US) 2015-04-28 — — US disclosed
US-8969575-B2 Substituted N-Aryl pyridinones AUSPEX PHARMACEUTICALS, INC. (US) 2015-03-03 — — US disclosed
US-20140107040-A1 SUBSTITUTED N-ARYL PYRIDINONES AUSPEX PHARMACEUTICALS, INC. (US) 2014-04-17 — — US disclosed
US-8680123-B1 Substituted N-aryl pyridinones AUSPEX PHARMACEUTICALS, INC (US) 2014-03-25 — — US disclosed
EP-2683379-A2 SUBSTITUTED N-ARYL PYRIDINONES Auspex Pharmaceuticals, Inc. (US) 2014-01-15 — — EP disclosed
US-20130345264-A1 SUBSTITUTED N-ARYL PYRIDONES AUSPEX PHARMACEUTICALS 2013-12-26 — — US disclosed
US-8383823-B2 Substituted N-aryl pyridinones AUSPEX PHARMACEUTICALS (US) 2013-02-26 — — US disclosed
EP-2170828-B1 SUBSTITUTED N-ARYL PYRIDINONES AS FIBROTIC INHIBITORS AUSPEX PHARMACEUTICALS INC (US) 2012-11-21 — — EP disclosed
WO-2012122165-A2 SUBSTITUTED N-ARYL PYRIDINONES AUSPEX PHARMACEUTICALS, INC. (US) 2012-09-13 — — WO disclosed
EP-2170828-A1 SUBSTITUTED N-ARYL PYRIDINONES AS FIBROTIC INHIBITORS Auspex Pharmaceuticals, Inc. (US) 2010-04-07 — — EP disclosed
US-20080319026-A1 SUBSTITUTED N-ARYL PYRIDINONES AUSPEX PHARMACEUTICALS, INC. (US) 2008-12-25 — — US disclosed
WO-2008157786-A1 SUBSTITUTED N-ARYL PYRIDINONES AS FIBROTIC INHIBITORS AUSPEX PHARMACEUTICAL, INC. (US) 2008-12-24 — — WO 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 (6 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-20140107040-A1 SUBSTITUTED N-ARYL PYRIDINONES COL1A1, COL2A1, COLGALT1 ALDH1A1 293/4885KDM4E 916/4885CYP1A2 97/4885
US-20150126562-A1 SUBSTITUTED N-ARYL PYRIDONES PIR, PDXK, PDGFRB ALDH1A1 108/4885KDM4E 819/4885CYP1A2 128/4885
US-20130345264-A1 SUBSTITUTED N-ARYL PYRIDONES PIR, PDXK, PDGFRB ALDH1A1 108/4885KDM4E 819/4885CYP1A2 128/4885
US-20080319026-A1 SUBSTITUTED N-ARYL PYRIDINONES COL1A1, COL2A1, COLGALT1 ALDH1A1 293/4885KDM4E 916/4885CYP1A2 97/4885
US-20160331734-A1 SUBSTITUTED N-ARYL PYRIDINONES COL1A1, COL2A1, COLGALT1 ALDH1A1 329/4885KDM4E 894/4885CYP1A2 124/4885
US-20150250777-A1 SUBSTITUTED N-ARYL PYRIDINONES COL1A1, COL2A1, COLGALT1 ALDH1A1 293/4885KDM4E 916/4885CYP1A2 97/4885

“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.