SCHEMBL458177

SCHEMBL458177

O=[N+]([O-])c1ccc(/C=C/c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.78
RAB9A P51151 3/20 0.76
MAPT P10636 3/20 0.76
NPC1 O15118 2/20 0.76
FBP1 P09467 2/20 0.75
PTGS2 P35354 6/20 0.70
PTGS1 P23219 2/20 0.70
CYP19A1 P11511 2/20 0.70
BCHE P06276 1/20 0.56
MAOB P27338 1/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
MAPK1 P28482 1/20 0.56
HTT P42858 1/20 0.56
GALK1 P51570 1/20 0.56
NFE2L2 Q16236 1/20 0.55

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
SCHEMBL458178 1.00 APP (0.78) APPRAB9AMAPTNPC1FBP1
SCHEMBL9170804 1.00 APP (0.78) APPRAB9AMAPTNPC1FBP1
SCHEMBL9170800 1.00 APP (0.78) APPRAB9AMAPTNPC1FBP1
SCHEMBL14947048 1.00 APP (0.78) APPRAB9AMAPTNPC1FBP1
SCHEMBL11375992 0.93 APP (0.69) APPRAB9AMAPTNPC1FBP1
SCHEMBL11375977 0.93 APP (0.69) APPRAB9AMAPTNPC1FBP1
SCHEMBL5514209 0.91 APP (0.67) APPRAB9AMAPTNPC1FBP1
SCHEMBL1405433 0.91 CYP19A1 (0.72) APPRAB9AMAPTNPC1FBP1
SCHEMBL5514207 0.91 APP (0.67) APPRAB9AMAPTNPC1FBP1
SCHEMBL1405432 0.91 CYP19A1 (0.72) APPRAB9AMAPTNPC1FBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110086429-A1 METHODS AND DEVICES FOR DETECTING OZONE AND CARBONYL-CONTAINING COMPOUNDS SIGMA-ALDRICH CO. (US) 2011-04-14 US claimed
EP-2232254-A1 METHODS AND DEVICES FOR SIMULTANEOUSLY DETECTING OZONE AND CARBONYL- CONTAINING COMPOUNDS Sigma-Aldrich Co. (US) 2010-09-29 EP claimed
WO-2009086304-A1 METHODS AND DEVICES FOR SIMULTANEOUSLY DETECTING OZONE AND CARBONYL- CONTAINING COMPOUNDS SIGMA-ALDRICH CO. (US) 2009-07-09 WO claimed
EP-4054715-A1 BIVALENT LECA INHIBITORS TARGETING BIOFILM FORMATION OF PSEUDOMONAS AERUGINOSA Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2022-09-14 EP disclosed
US-11382991-B2 Molecular probes for imaging of myelin CASE WESTERN RESERVE UNIVERSITY (US) 2022-07-12 US disclosed
WO-2021074275-A1 EFFECTIVE PHOTOMODULATION OF LANTHANIDE (III) ION LUMINESCENCE IN THE VISIBLE OR NEAR-INFRARED RANGE UNIVERSITE DE RENNES 1 (FR) 2021-04-22 WO disclosed
CN-108003029-B Method for preparing nitro compound by catalyzing nitric oxide with graphene 南京偌赛医药科技有限公司 2020-11-13 CN disclosed
CN-110143897-A The preparation method of 4,4`- diamino bibenzyl -2,2`- disulfonic acid 浙江大学 2019-08-20 CN disclosed
US-20180339069-A1 MOLECULAR PROBES FOR IMAGING OF MYELIN CASE WESTERN RESERVE UNIVERSITY 2018-11-29 US disclosed
EP-2910945-B1 Molecular probes for imaging of myelin UNIV CASE WESTERN RESERVE (US) 2018-07-18 EP disclosed
US-9987379-B2 Molecular probes for imaging of myelin CASE WESTERN RESERVE UNIVERSITY (US) 2018-06-05 US disclosed
EP-0206147-B1 PROCESS FOR THE PREPARATION OF 4,4'-DINITRODIBENZYLS BAYER AG (DE) 1990-02-28 EP disclosed
US-4734532-A HIGH SPEED OXIDATIVE DIMERIZATION OF 4-NITROTOLUENE BAYER AKTIENGESELLSCHAFT (DE) 1988-03-29 US disclosed
EP-0206147-A2 Process for the preparation of 4,4'-dinitrodibenzyls BAYER AG (DE) 1986-12-30 EP disclosed
US-4533505-A REACTION OF ETHYLENE IWITH ACID HALIDES IN THE PRESENCE OF A BASE AND A PALLADIUM CATALYST CIBA-GEIGY CORPORATION (US) 1985-08-06 US disclosed
EP-0062005-B1 PROCESS FOR THE MANUFACTURE OF STYRENE AND/OR STILBENE DERIVATIVES CIBA-GEIGY AG (CH) 1985-06-26 EP disclosed
US-4504559-A Disazo compounds and photoconductive composition as well as electrophotographic light sensitive element containing the same FUJI PHOTO FILM CO., LTD. (JP) 1985-03-12 US disclosed
US-4478757-A Process for the manufacture of aromatic isocyanates PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1984-10-23 US disclosed
EP-0062005-A1 Process for the manufacture of styrene and/or stilbene derivatives CIBA-GEIGY AG (CH) 1982-10-06 EP disclosed
US-4332739-A Process for the manufacture of aromatic isocyanates PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1982-06-01 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 (2 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-20180339069-A1 MOLECULAR PROBES FOR IMAGING OF MYELIN MAG, MYT1, PMP22 APP 2179/4885RAB9A 2852/4885MAPT 676/4885
US-11382991-B2 Molecular probes for imaging of myelin MAG, MYT1, PMP22 APP 2179/4885RAB9A 2852/4885MAPT 676/4885

“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.