SCHEMBL6589180

SCHEMBL6589180

CCc1ccc([N+](=O)[O-])cc1C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.63
TP53 P04637 1/20 0.63
MAPT P10636 6/20 0.59
ALDH1A1 P00352 5/20 0.59
TDP1 Q9NUW8 2/20 0.56
CYP3A4 P08684 1/20 0.56
ALOX15 P16050 1/20 0.56
KMT2A Q03164 5/20 0.54
CYP1A2 P05177 2/20 0.53
MEN1 O00255 4/20 0.51
CTSV O60911 2/20 0.51
CTSL P07711 2/20 0.51
GAA P10253 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
RORC P51449 1/20 0.49
PLA2G1B P04054 1/20 0.49
ATG4B Q9Y4P1 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
NPC1 O15118 1/20 0.47
TRPA1 O75762 1/20 0.47

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
SCHEMBL6592607 0.90 MAPT (0.54) HTTTP53MAPTALDH1A1TDP1
SCHEMBL28257472 0.89 HTT (0.58) HTTTP53MAPTALDH1A1TDP1
SCHEMBL8483121 0.86 ALDH1A1 (0.56) HTTTP53MAPTALDH1A1TDP1
SCHEMBL2557500 0.86 ALDH1A1 (0.60) HTTTP53MAPTALDH1A1TDP1
SCHEMBL5916635 0.86 KMT2A (0.57) HTTTP53MAPTALDH1A1TDP1
SCHEMBL5490141 0.86 TP53 (0.56) HTTTP53MAPTALDH1A1TDP1
SCHEMBL9680553 0.85 ALDH1A1 (0.54) HTTTP53MAPTALDH1A1TDP1
SCHEMBL28633259 0.85 ALDH1A1 (0.54) HTTTP53MAPTALDH1A1TDP1
SCHEMBL1122546 0.85 CYP1A2 (0.69) HTTTP53MAPTALDH1A1TDP1
SCHEMBL11692305 0.85 RORC (0.51) HTTTP53MAPTALDH1A1TDP1

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
CN-109942537-B ALDH2 agonist, preparation method and application thereof 中国人民解放军第二军医大学 2023-11-17 CN disclosed
US-20110269834-A1 COMPOUNDS AND METHODS FOR TREATING RESPIRATORY DISEASES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2011-11-03 US disclosed
EP-1150977-B1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2004-08-25 EP disclosed
US-6699879-B1 OBESITY, DIABETES, SLEEP DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2004-03-02 US disclosed
EP-1150977-A1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2001-11-07 EP disclosed
WO-2000047577-A1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2000-08-17 WO disclosed
EP-0001246-B1 PREPARATION OF 2-(3'- OR 4'-AMINOPHENYL)-5(OR 6)-AMINOBENZIMIDAZOLES CASSELLA Aktiengesellschaft (DE) 1981-02-25 EP disclosed
US-4192947-A REACTING DIAMINO NITROBENZENE WITH NITROBENZOYL CHLORIDE, CYCLIZING ANILIDE IN AQUEOUS ALKALI, REDUCING NITRO GROUPS WITH SULFIDE CASSELLA AKTIENGESELLSCHAFT (DE) 1980-03-11 US disclosed
EP-0001246-A1 Preparation of 2-(3'- or 4'-aminophenyl)-5(or 6)-aminobenzimidazoles CASSELLA Aktiengesellschaft (DE) 1979-04-04 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 (1 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-20110269834-A1 COMPOUNDS AND METHODS FOR TREATING RESPIRATORY DISEASES SARS1, ACE2, ACE HTT 3002/4885TP53 3034/4885MAPT 2513/4885

“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.