Sugi Predict

Sugi Predict / Compounds / SCHEMBL78138

SCHEMBL78138

SCHEMBL78138

Nc1ccccc1C(=O)O[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.56
▸ HSD17B10 Q99714 10/20 0.56
▸ CFTR P13569 1/20 0.56
▸ RAB9A P51151 3/20 0.54
▸ TSHR P16473 3/20 0.47
▸ KDM4E B2RXH2 5/20 0.46
▸ HPGD P15428 4/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ POLB P06746 2/20 0.46
▸ GLA P06280 2/20 0.46
▸ TP53 P04637 2/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ NFKB2 Q00653 1/20 0.45

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
SCHEMBL2865396 0.86 TSHR (0.43) ALDH1A1HSD17B10RAB9ATSHRKDM4E
SCHEMBL28694280 0.83 ALDH1A1 (0.42) ALDH1A1HSD17B10CFTRRAB9ATSHR
SCHEMBL79299 0.81 RAB9A (0.40) ALDH1A1HSD17B10CFTRRAB9ATSHR
SCHEMBL28254424 0.81 TSHR (0.57) ALDH1A1HSD17B10RAB9ATSHRKDM4E
SCHEMBL4027098 0.79 ALDH1A1 (0.54) ALDH1A1HSD17B10TSHRKDM4EHPGD
SCHEMBL6171195 0.78 PTPN2 (0.46) ALDH1A1HSD17B10RAB9ATSHRKDM4E
Zinc Ion SCHEMBL28381506 0.78 ALDH1A1 (0.47) ALDH1A1HSD17B10RAB9ATSHRKDM4E
SCHEMBL11764313 0.78 NPC1 (0.50) ALDH1A1HSD17B10RAB9ATSHRHPGD
SCHEMBL1133328 0.78 ALDH1A1 (0.58) ALDH1A1RAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL28140248 0.78 ALDH1A1 (0.52) ALDH1A1HSD17B10TSHRKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014133526-A1 COLORED PIGMENT PARTICLES FOR ELECTROPHORETIC DISPLAYS EMPIRE TECHNOLOGY DEVELOPMENT LLC (US) 2014-09-04 — — WO claimed
CN-100456398-C Electrolyte for driving electrolytic capacitor and electrolytic capacitor RUBYCON CORP (JP) 2009-01-28 — — CN claimed
CN-1946716-A Cyanopyrrole-containing cyclic carbamate and thiocarbamate biaryls and methods for preparing the same WYETH CORP (US) 2007-04-11 — — CN claimed
CN-1529892-A Electrolyte for driving electrolytic capacitor and electrolytic capacitor 如碧空株式会社 2004-09-15 — — CN claimed
US-9846345-B2 Colored pigment particles for electrophoretic displays EMPIRE TECHNOLOGY DEVELOPMENT LLC (US) 2017-12-19 — — US disclosed
US-20160018716-A1 COLORED PIGMENT PARTICLES FOR ELECTROPHORETIC DISPLAYS CRESTLINE DIRECT FINANCE, L.P. 2016-01-21 — — US disclosed
WO-2014133526-A1 COLORED PIGMENT PARTICLES FOR ELECTROPHORETIC DISPLAYS EMPIRE TECHNOLOGY DEVELOPMENT LLC (US) 2014-09-04 — — WO disclosed
US-8129524-B2 Cyanopyrrole containing cyclic carbamate and thiocarbamate biaryls and methods for preparing the same WYETH LLC (US) 2012-03-06 — — US disclosed
US-20120016118-A1 CYANOPYRROLE CONTAINING CYCLIC CARBAMATE AND THIOCARBAMATE BIARYLS AND METHODS FOR PREPARING THE SAME WYETH LLC (US) 2012-01-19 — — US disclosed
CN-1946716-B Cyanopyrrole-containing cyclic carbamate and thiocarbamate biaryls and methods for preparing the same WYETH (US) 2011-12-21 — — CN disclosed
US-8003784-B2 Cyanopyrrole containing cyclic carbamate and thiocarbamate biaryls and methods for preparing the same WYETH LLC (US) 2011-08-23 — — US disclosed
US-20090306371-A1 CYANOPYRROLE CONTAINING CYCLIC CARBAMATE AND THIOCARBAMATE BIARYLS AND METHODS FOR PREPARING THE SAME WYETH (US) 2009-12-10 — — US disclosed
CN-1529892-A Electrolyte for driving electrolytic capacitor and electrolytic capacitor 如碧空株式会社 2004-09-15 — — CN disclosed
CN-1494723-A Electrolytic capacitor and electrolyte for driving electrolytic capacitor 如碧空株式会社 2004-05-05 — — CN disclosed
EP-1413582-A1 Dimeric pyrrolobenzodiazepines Spirogen Limited (GB) 2004-04-28 — — EP disclosed
US-20030120069-A1 Pyrrolobenzodiazepines SPIROGEN LIMITED (GB) 2003-06-26 — — US disclosed
EP-1193270-A2 Pyrrolobenzodiazepines Spirogen Limited (GB) 2002-04-03 — — EP disclosed
EP-1109812-A2 PYRROLOBENZODIAZEPINES Spirogen Limited (GB) 2001-06-27 — — EP disclosed
WO-2000012508-A2 PYRROLBENZODIAZEPINES SPIROGEN LIMITED (GB) 2000-03-09 — — WO disclosed
US-5543414-A VIRICIDES SYNTEX (USA) INC. (US) 1996-08-06 — — 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 (3 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-20120016118-A1 CYANOPYRROLE CONTAINING CYCLIC CARBAMATE AND THIOCARBAMATE BIARYLS AND METHODS FOR PREPARING THE SAME CBR3, CTH, MMAB ALDH1A1 1061/4885HSD17B10 2127/4885CFTR 2301/4885
US-20030120069-A1 Pyrrolobenzodiazepines CNR1, CBX2, CNR2 ALDH1A1 4469/4885HSD17B10 1799/4885CFTR 2188/4885
US-20090306371-A1 CYANOPYRROLE CONTAINING CYCLIC CARBAMATE AND THIOCARBAMATE BIARYLS AND METHODS FOR PREPARING THE SAME CBR3, CTH, MMAB ALDH1A1 1083/4885HSD17B10 2116/4885CFTR 2346/4885

“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.