SCHEMBL3737728

SCHEMBL3737728

O=C(O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.58
ALDH1A1 P00352 2/20 0.58
HPGD P15428 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
FFAR1 O14842 5/20 0.53
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
TDP1 Q9NUW8 1/20 0.47
TP53 P04637 1/20 0.47
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
SLC9A1 P19634 1/20 0.45
HTR1E P28566 1/20 0.45
S1PR3 Q99500 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
CES1 P23141 2/20 0.44
CES2 O00748 1/20 0.43
SRD5A2 P31213 1/20 0.43

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
SCHEMBL15248885 1.00 MAPT (0.58) MAPTALDH1A1HPGDSMN1; SMN2FFAR1
SCHEMBL2563497 1.00 MAPT (0.58) MAPTALDH1A1HPGDSMN1; SMN2FFAR1
SCHEMBL23116564 1.00 MAPT (0.58) MAPTALDH1A1HPGDSMN1; SMN2FFAR1
SCHEMBL23425327 1.00 MAPT (0.58) MAPTALDH1A1HPGDSMN1; SMN2FFAR1
SCHEMBL18579168 0.85 ALDH1A1 (0.53) MAPTALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL1819094 0.81 ALDH1A1 (0.44) MAPTALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL7002979 0.81 SLC9A1 (0.67) MAPTALDH1A1HPGDSMN1; SMN2FFAR1
SCHEMBL13043598 0.81 IDO1 (0.54) MAPTALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL5775091 0.81 SLC9A1 (0.67) MAPTALDH1A1HPGDSMN1; SMN2FFAR1
SCHEMBL1819100 0.81 ALDH1A1 (0.44) MAPTALDH1A1HPGDSMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4720036-A1 CYP26B1 INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF 16380026 Canada Inc. (CA) 2026-04-08 EP disclosed
WO-2024243692-A1 CYP26B1 INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF QUEEN'S UNIVERSITY AT KINGSTON (CA) 2024-12-05 WO disclosed
US-9278915-B2 Agonists of GPR40 CONNEXIOS LIFE SCIENCES PVT LTD (IN) 2016-03-08 US disclosed
US-8975250-B2 5 oxo-5,8-dihydropyrido[2,3-d]pyrimidine derivatives as CaMKII kinase inhibitors for treating cardiovascular diseases SANOFI (FR) 2015-03-10 US disclosed
US-20130237571-A1 AGONISTS OF GPR40 Conexios Life Sciences PVT. LTD. (IN) 2013-09-12 US disclosed
US-20120277220-A1 5 OXO-5,8-DIHYDROPYRIDO[2,3-d]PYRIMIDINE DERIVATIVES AS CAMKII KINASE INHIBITORS FOR TREATING CARDIOVASCULAR DISEASES SANOFI (FR) 2012-11-01 US disclosed
US-7834013-B2 Racemic-(trans)-2-[4-({[3-(phenyloxy)phenyl]methyl}ammonium)phenyl]cyclopropanecarboxylic acid; type II diabetes; G protein-coupled receptor 40 (GPR40) agonists GLAXOSMITHKLINE LLC (US) 2010-11-16 US disclosed
US-20090105257-A1 AMINOPHENYLCYCLOPROPYL CARBOXYLIC ACIDS AND DERIVATIVES AS AGONISTS TO GPR40 GLAXOSMITHKLINE LLC 2009-04-23 US disclosed
WO-2005051890-A1 AMINOPHENYLCYCLOPROPYL CARBOXYLIC ACIDS AND DERIVATIVES AS AGONISTS TO GPR40 SMITHKLINE BEECHAM CORPORATION (US) 2005-06-09 WO disclosed
EP-0047119-B1 CARBOXAMIDE COMPOUNDS AS SRS-A ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, PROCESSES FOR THE PREPARATION, AND INTERMEDIATES USEFUL THEREIN PFIZER INC. (US) 1984-05-09 EP disclosed
EP-0050977-B1 CARBOXAMIDE COMPOUNDS AS SRS-A ANTAGONISTS AND A PROCESS FOR PRODUCING SAME PFIZER INC. (US) 1983-09-14 EP disclosed
US-4343813-A ANTIANAPHYLACTIC AGENTS PFIZER INC. (US) 1982-08-10 US disclosed
US-4331683-A SENSITIZATION, ANTIALLERGENS PFIZER INC. (US) 1982-05-25 US disclosed
EP-0050977-A1 Carboxamide compounds as SRS-A antagonists and a process for producing same PFIZER INC. (US) 1982-05-05 EP disclosed
EP-0047119-A1 Carboxamide compounds as SRS-A antagonists, pharmaceutical compositions containing them, processes for the preparation, and intermediates useful therein PFIZER INC. (US) 1982-03-10 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 (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-20130237571-A1 AGONISTS OF GPR40 GPR65, GPR55, GPR68 MAPT 2792/4885ALDH1A1 2410/4885HPGD 1276/4885
US-20090105257-A1 AMINOPHENYLCYCLOPROPYL CARBOXYLIC ACIDS AND DERIVATIVES AS AGONISTS TO GPR40 GPR65, GPR88, GPR84 MAPT 3025/4885ALDH1A1 2055/4885HPGD 1924/4885
US-20120277220-A1 5 OXO-5,8-DIHYDROPYRIDO[2,3-d]PYRIMIDINE DERIVATIVES AS CAMKII KINASE INHIBITORS FOR TREATING CARDIOVASCULAR DISEASES CAMKK1, CAMKK2, CAMK1 MAPT 3104/4885ALDH1A1 2432/4885HPGD 1117/4885

“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.