SCHEMBL3294994

SCHEMBL3294994

COc1cc(C)c([N+](=O)[O-])cc1OC

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
MAPT P10636 4/20 0.59
CYP3A4 P08684 2/20 0.59
KDM4E B2RXH2 1/20 0.59
ALOX15 P16050 1/20 0.59
PRKDC P78527 1/20 0.59
HSD17B10 Q99714 1/20 0.59
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.46
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.46
RECQL P46063 1/20 0.46
LMNA P02545 2/20 0.45
MAPK1 P28482 2/20 0.45
POLB P06746 2/20 0.45
HTT P42858 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL31077653 0.90 ALDH1A1 (0.50) ALDH1A1MAPTCYP3A4KDM4EALOX15
SCHEMBL2944676 0.90 ALDH1A1 (0.50) ALDH1A1MAPTCYP3A4KDM4EALOX15
SCHEMBL29738113 0.90 ALDH1A1 (0.50) ALDH1A1MAPTCYP3A4KDM4EALOX15
SCHEMBL2911207 0.90 ALDH1A1 (0.50) ALDH1A1MAPTCYP3A4KDM4EALOX15
SCHEMBL210330 0.87 ALDH1A1 (0.68) ALDH1A1MAPTCYP3A4KDM4EALOX15
SCHEMBL29800558 0.87 ALDH1A1 (0.68) ALDH1A1MAPTCYP3A4KDM4EALOX15
SCHEMBL2955974 0.86 ALDH1A1 (0.53) ALDH1A1MAPTCYP3A4KDM4EALOX15
SCHEMBL24743370 0.85 ALDH1A1 (0.49) ALDH1A1MAPTCYP3A4KDM4EALOX15
SCHEMBL9017805 0.85 ALDH1A1 (0.46) ALDH1A1MAPTCYP3A4KDM4EALOX15
SCHEMBL5479455 0.85 HTT (0.54) ALDH1A1MAPTCYP3A4KDM4EALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060240088-A1 Caged ligands and uses thereof ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2006-10-26 US claimed
WO-2004037983-A2 CAGED LIGANDS AND USES THEREOF ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2004-05-06 WO claimed
WO-2023022042-A1 PHOTOSENSITIVE SURFACE TREATMENT AGENT, LAMINATE, TRANSISTOR, PATTERN FORMATION METHOD, AND TRANSISTOR MANUFACTURING METHOD 株式会社ニコン 2023-02-23 WO disclosed
US-20200205406-A1 MICROBIOCIDAL PHENYLAMIDINE DERIVATIVES WITH IMPROVED PLANT SAFETY PROPERTIES SYNGENTA PARTICIPATIONS AG (CH) 2020-07-02 US disclosed
CN-110461156-A The phenylamidine derivative for killing microorganism with improved plant security feature SYNGENTA PARTICIPATIONS AG 2019-11-15 CN disclosed
US-9593197-B2 Trigger-responsive chain-shattering polymers THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2017-03-14 US disclosed
EP-1389216-B1 AVERMECTINS SUBSTITUTED IN THE 4\"-POSITION HAVING PESTICIDAL PROPERTIES MERIAL INC (US) 2017-02-22 EP disclosed
US-9122158-B2 Photo-curable resin composition, photo-curable dry film, patterning process, protective film, and electric/electronic part SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-09-01 US disclosed
US-9122158-B2 Photo-curable resin composition, photo-curable dry film, patterning process, protective film, and electric/electronic part SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-09-01 US disclosed
US-20150141453-A1 Trigger-Responsive Chain-Shattering Polymers THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2015-05-21 US disclosed
US-20140220483-A1 PHOTO-CURABLE RESIN COMPOSITION, PHOTO-CURABLE DRY FILM, PATTERNING PROCESS, PROTECTIVE FILM, AND ELECTRIC/ELECTRONIC PART SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-08-07 US disclosed
US-20060105970-A1 Avermectins substituted in the 4\"-position having pesticidal properties SYNGENTA CROP PROTECTION, INC. 2006-05-18 US disclosed
WO-2004037983-A2 CAGED LIGANDS AND USES THEREOF ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2004-05-06 WO disclosed
US-6096758-A 3-METHYLIMIDAZOPYRIDINES USED FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-08-01 US disclosed
EP-0882048-A1 3-METHYLIMIDAZOPYRIDINES Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1998-12-09 EP disclosed
WO-1997027193-A1 IMIDAZOPYRIDINE HALIDES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1997-07-31 WO disclosed
WO-1997027192-A1 3-METHYLIMIDAZOPYRIDINES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1997-07-31 WO disclosed
US-4454337-A Semicarbazide intermediates for preparing 4-substituted indoles SMITHKLINE BECKMAN CORPORATION (US) 1984-06-12 US disclosed
US-4394514-A Processes for preparing 4-substituted indoles SMITHKLINE BECKMAN CORPORATION (US) 1983-07-19 US disclosed
US-3976639-A Intermediates for indoles HOFFMANN-LA ROCHE INC. (US) 1976-08-24 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-20200205406-A1 MICROBIOCIDAL PHENYLAMIDINE DERIVATIVES WITH IMPROVED PLANT SAFETY PROPERTIES ARG1, MSR1, PADI1 ALDH1A1 1960/4885MAPT 3604/4885CYP3A4 187/4885
US-20150141453-A1 Trigger-Responsive Chain-Shattering Polymers SGTA, FUS, EWSR1 ALDH1A1 4343/4885MAPT 1250/4885CYP3A4 2644/4885
US-20060105970-A1 Avermectins substituted in the 4\"-position having pesticidal properties DDT, C3AR1, C9 ALDH1A1 4386/4885MAPT 618/4885CYP3A4 58/4885

“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.