SCHEMBL7842423

SCHEMBL7842423

O=C(O)/C=C(\c1ccccc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.66
CES2 O00748 1/20 0.66
TDP1 Q9NUW8 1/20 0.56
POLB P06746 2/20 0.56
MAPK1 P28482 2/20 0.56
BCHE P06276 1/20 0.54
MAOB P27338 1/20 0.54
CYP1B1 Q16678 1/20 0.54
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
NPC1 O15118 2/20 0.53
MITF O75030 2/20 0.53
RAB9A P51151 2/20 0.53
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
SRD5A2 P31213 1/20 0.51
ALDH1A1 P00352 3/20 0.50
GAA P10253 2/20 0.50
TSHR P16473 1/20 0.50
CRHBP P24387 1/20 0.50

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
SCHEMBL7852918 1.00 CES1 (0.66) CES1CES2TDP1POLBMAPK1
SCHEMBL7842426 1.00 CES1 (0.66) CES1CES2TDP1POLBMAPK1
SCHEMBL15515489 0.87 CES1 (0.62) CES1CES2TDP1POLBMAPK1
SCHEMBL11224077 0.87 CES1 (0.62) CES1CES2TDP1POLBMAPK1
SCHEMBL11224088 0.87 CES1 (0.62) CES1CES2TDP1POLBMAPK1
SCHEMBL8134880 0.85 TP53 (0.63) CES1CES2MAOBMEN1KMT2A
SCHEMBL7063316 0.85 TP53 (0.63) CES1CES2MAOBMEN1KMT2A
SCHEMBL7063319 0.85 TP53 (0.63) CES1CES2MAOBMEN1KMT2A
SCHEMBL4333511 0.84 RAB9A (0.53) CES1CES2TDP1POLBMAPK1
SCHEMBL7783945 0.81 TP53 (0.67) CES1CES2MAOBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0790998-A1 AZO DERIVATIVES OF 5-AMINOSALICYLIC ACID FOR TREATMENT OF INFLAMMATORY BOWEL DISEASE J. URIACH & CIA. S.A. (ES) 1997-08-27 EP claimed
WO-1997009329-A1 AZO DERIVATIVES OF 5-AMINOSALICYLIC ACID FOR TREATMENT OF INFLAMMATORY BOWEL DISEASE J. URIACH & CIA. S.A. (ES) 1997-03-13 WO claimed
US-20150344407-A1 FENDILINE DERIVATIVES AND METHODS OF USE THEREOF AVIARA PHARMACEUTICALS, INC. 2015-12-03 US disclosed
WO-2014031755-A1 FENDILINE DERIVATIVES AND METHODS OF USE THEREOF THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-02-27 WO disclosed
EP-2310371-B1 PPAR AGONIST COMPOUNDS AND PREPARATION AND USES THEREOF FOR TREATING DIABETES AND/OR DYSLIPIDEMIA GENFIT (FR) 2013-05-15 EP disclosed
EP-0790998-B1 AZO DERIVATIVES OF 5-AMINOSALICYLIC ACID FOR TREATMENT OF INFLAMMATORY BOWEL DISEASE URIACH & CIA SA J (ES) 2001-01-17 EP disclosed
EP-0738269-B1 PIPERIDINE DERIVATIVES WITH PAF ANTAGONIST ACTIVITY URIACH & CIA SA J (ES) 2000-04-26 EP disclosed
US-5747477-A INFLAMMATORY BOWEL DISEASE, GASTROINTESTINAL DISORDERS, CROHN*S DISEASE J. URIACH & CIA S.A. (ES) 1998-05-05 US disclosed
US-5705504-A PLATELET ACTIVATING FACTOR J. URIACH & CIA, S.A. (ES) 1998-01-06 US disclosed
EP-0790998-A1 AZO DERIVATIVES OF 5-AMINOSALICYLIC ACID FOR TREATMENT OF INFLAMMATORY BOWEL DISEASE J. URIACH & CIA. S.A. (ES) 1997-08-27 EP disclosed
WO-1997009329-A1 AZO DERIVATIVES OF 5-AMINOSALICYLIC ACID FOR TREATMENT OF INFLAMMATORY BOWEL DISEASE J. URIACH & CIA. S.A. (ES) 1997-03-13 WO disclosed
EP-0738269-A1 NOVEL PIPERIDINE DERIVATIVES WITH PAF ANTAGONIST ACTIVITY J. URIACH & CIA. S.A. (ES) 1996-10-23 EP disclosed
WO-1996014317-A1 NOVEL PIPERIDINE DERIVATIVES WITH PAF ANTAGONIST ACTIVITY J. URIACH & CIA. S.A. (ES) 1996-05-17 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 (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-20150344407-A1 FENDILINE DERIVATIVES AND METHODS OF USE THEREOF KRAS, RASSF5, RASSF2 CES1 344/4885CES2 1093/4885TDP1 3294/4885

“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.