SCHEMBL5152358

SCHEMBL5152358

O=c1cc2ccccc2n[n+]([O-])c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.40
MAPT P10636 2/20 0.40
GLA P06280 1/20 0.40
HPGD P15428 1/20 0.40
ACHE P22303 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
AHR P35869 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 5/20 0.36
GAA P10253 3/20 0.36
PDE2A O00408 2/20 0.35
PDE3B Q13370 2/20 0.35
PDE3A Q14432 2/20 0.35
NQO2 P16083 1/20 0.34
ALPL P05186 1/20 0.34

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
SCHEMBL5894508 0.70 ALDH1A1 (0.39) ALDH1A1MAPTGLAHPGDACHE
SCHEMBL18095030 0.66 MAPT (0.38) ALDH1A1MAPTGLAHPGDACHE
SCHEMBL6406728 0.64 ALDH1A1 (0.54) ALDH1A1MAPTGLAHPGDACHE
Acridine SCHEMBL4906921 0.64 ALDH1A1 (0.65) ALDH1A1MAPTGLAHPGDACHE
Acridine SCHEMBL11600717 0.63 ALDH1A1 (0.71) ALDH1A1MAPTGLAHPGDACHE
Acridine SCHEMBL1051621 0.63 ALDH1A1 (0.71) ALDH1A1MAPTGLAHPGDACHE
Acridine SCHEMBL10831095 0.63 ALDH1A1 (0.71) ALDH1A1MAPTGLAHPGDACHE
Acridine SCHEMBL2140243 0.63 ALDH1A1 (0.71) ALDH1A1MAPTGLAHPGDACHE
SCHEMBL1515043 0.63 ALDH1A1 (0.50) ALDH1A1MAPTGLAHPGDACHE
Hydrochloric Acid SCHEMBL8523156 0.62 ALDH1A1 (0.48) ALDH1A1MAPTGLAHPGDACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3391055-A1 REACTIVE MAGNETIC EMULSIONS Ecole Supérieure de Physique et de Chimie Industrielles de la Ville de Paris (FR) 2018-10-24 EP disclosed
CN-102753544-A 1,4-benzodiazepine-2,5-diones and related compounds with therapeutic properties UNIV MICHIGAN 2012-10-24 CN disclosed
CN-102753179-A 1,4-benzodiazepine-2,5-diones and related compounds with therapeutic properties UNIV MICHIGAN 2012-10-24 CN disclosed
CN-101321534-A Benzodiazepines as HCV inhibitors TIBOTEC PHARM LTD (IE) 2008-12-10 CN disclosed
EP-1617807-A4 SUBSTITUTED 1,4-DIAZEPINES AND USES THEREOF ORTHO MCNEIL PHARM INC (US) 2007-02-21 EP disclosed
US-20060235007-A1 Substituted 1,4-diazepines and uses thereof LU TIANBAO 2006-10-19 US disclosed
US-7115598-B2 Substituted 1,4-diazepines and uses thereof ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2006-10-03 US disclosed
EP-1656155-A2 USE OF GENES DIFFERENTIALLY EXPRESSED DURING AGING OF LIVER FOR TREATMENT AND DIAGNOSIS Ohio University (US) 2006-05-17 EP disclosed
EP-1617807-A2 SUBSTITUTED 1,4-DIAZEPINES AND USES THEREOF Ortho-McNeil Pharmaceuticals, Inc. (US) 2006-01-25 EP disclosed
US-20050227932-A1 Combinational therapy involving a small molecule inhibitor of the MDM2: p53 interaction ORTHO-MCNEIL PHARMACEUTICAL, INC. 2005-10-13 US disclosed
US-H789-H DESILVERING USING FERRIC COMPLEX SALT FUJI PHOTO FILM CO., LTD. (JP) 1990-06-05 US disclosed
US-4865959-A HIGH SPEED COLORED IMAGES FUJI PHOTO FILM CO., LTD. (JP) 1989-09-12 US disclosed
EP-0310125-A2 Silver halide color photographic material FUJI PHOTO FILM CO., LTD. (JP) 1989-04-05 EP disclosed
EP-0295632-A2 Silver halide color photographic materials FUJI PHOTO FILM CO., LTD. (JP) 1988-12-21 EP disclosed
EP-0287073-A2 Method for processing a silver halide photographic material FUJI PHOTO FILM CO., LTD. (JP) 1988-10-19 EP disclosed
US-4146537-A Process for preparing imidazo[1,5-a][1,5]benzodiazepines HOFFMANN-LA ROCHE INC. (US) 1979-03-27 US disclosed
US-4137229-A NITROSATION, HYDROLYSIS, CARBOXYLATION, DECARBOXYLATION, HYDROGENATION, CONDENSATION, AMIDATION, CYCLIZATION, AMINATION HOFFMANN-LA ROCHE INC. (US) 1979-01-30 US disclosed
US-4111931-A ANXIOLYTICS, ANTICONVULSANT, MUSCLE RELAXANT, SEDATIVE HOFFMANN-LA ROCHE INC. (US) 1978-09-05 US disclosed
US-4080323-A ANXIOLYTICS, ANTICONVULSANTS, MUSCLE RELAXANTS, SEDATIVES HOFFMANN-LA ROCHE INC. (US) 1978-03-21 US disclosed
US-RE28935-E PSYCHOSEDATIVES, ANTICONVULSANTS BOEHRINGER INGELHEIM GMBH (DT) 1976-08-17 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-20060235007-A1 Substituted 1,4-diazepines and uses thereof MDM2, TP53, RB1 ALDH1A1 1841/4885MAPT 3530/4885GLA 3494/4885
US-20050227932-A1 Combinational therapy involving a small molecule inhibitor of the MDM2: p53 interaction TP53, MDM2, TP53BP1 ALDH1A1 2664/4885MAPT 1674/4885GLA 1666/4885

“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.