SCHEMBL968090

SCHEMBL968090

COc1cccc(CC(=O)NN)c1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.59
MAPK8 P45983 1/20 0.59
USP2 O75604 1/20 0.58
PLA2G2A P14555 1/20 0.58
ALDH1A1 P00352 2/20 0.56
HTT P42858 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CTBP2 P56545 1/20 0.56
RAB9A P51151 1/20 0.55
AOC2 O75106 1/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CSNK1D P48730 1/20 0.53
GLS O94925 1/20 0.53

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
SCHEMBL11022943 0.85 HDAC1 (0.65) POLBMAPK8USP2ALDH1A1HTT
SCHEMBL10154070 0.85 POLB (0.60) POLBMAPK8USP2ALDH1A1HTT
SCHEMBL13903213 0.84 HDAC1 (0.60) RAB9A
SCHEMBL6496853 0.84 POLB (0.59) POLBMAPK8USP2ALDH1A1HTT
SCHEMBL29907960 0.83 MAPK8 (0.54) POLBMAPK8PLA2G2AHTTAOC2
SCHEMBL15831226 0.83 POLB (0.58) POLBMAPK8USP2ALDH1A1HTT
SCHEMBL7194491 0.82 AOC2 (0.67) ALDH1A1AOC2MEN1KMT2AGLS
SCHEMBL437370 0.82 MAPK8 (0.57) POLBMAPK8USP2ALDH1A1HTT
SCHEMBL13903268 0.82 HDAC1 (0.69) POLB
SCHEMBL378705 0.81 SMN1; SMN2 (0.61) POLBUSP2ALDH1A1HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103304441-A O-methoxyphenylacetic acid Schiff base and synthetic method and application thereof UNIV NANJING NORMAL 2013-09-18 CN claimed
US-11912687-B2 3,4,5-trisubstituted-1,2,4-triazoles and 3,4,5-trisubstituted-3-thio-1,2,4-triazoles and uses thereof Board of Trustees of the Southern Illinois University (US) 2024-02-27 US disclosed
US-11912687-B2 3,4,5-trisubstituted-1,2,4-triazoles and 3,4,5-trisubstituted-3-thio-1,2,4-triazoles and uses thereof Board of Trustees of the Southern Illinois University (US) 2024-02-27 US disclosed
CN-114989131-B N' - (2- (benzo [1,3] dioxolan-5-yl) acyl) aryl hydrazide compound as well as synthesis and application thereof 云南大学 2023-10-24 CN disclosed
EP-3634406-B1 3,4,5-TRISUBSTITUTED-1,2,4-TRIAZOLES AND 3,4,5-TRISUBSTITUTED-3-THIO-1,2,4-TRIAZOLES AND USES THEREOF BOARD OF TRUSTEES OF THE SOUTHERN ILLINOIS UNIV ON BEHALF OF SOUTHERN ILLINOIS UNIV EDWARDSVILLE (US) 2023-09-06 EP disclosed
EP-3634406-B1 3,4,5-TRISUBSTITUTED-1,2,4-TRIAZOLES AND 3,4,5-TRISUBSTITUTED-3-THIO-1,2,4-TRIAZOLES AND USES THEREOF BOARD OF TRUSTEES OF THE SOUTHERN ILLINOIS UNIV ON BEHALF OF SOUTHERN ILLINOIS UNIV EDWARDSVILLE (US) 2023-09-06 EP disclosed
CN-114989131-A N' - (2- (benzo [1,3] dioxolane-5-yl) acyl) aroyl hydrazide compound and synthesis and application thereof 云南大学 2022-09-02 CN disclosed
US-20220002274-A1 3,4,5-Trisubstituted-1,2,4-Triazoles and 3,4,5-Trisubstituted-3-Thio-1,2,4-Triazoles and Uses Thereof Board of Trustees of the Southern Illinois University (US) 2022-01-06 US disclosed
US-20220002274-A1 3,4,5-Trisubstituted-1,2,4-Triazoles and 3,4,5-Trisubstituted-3-Thio-1,2,4-Triazoles and Uses Thereof Board of Trustees of the Southern Illinois University (US) 2022-01-06 US disclosed
US-11136312-B2 3,4,5-trisubstituted-1,2,4-triazoles and 3,4,5-trisubstituted-3-thio-1,2,4-triazoles and uses thereof Board of Trustees of the Southern Illinois University (US) 2021-10-05 US disclosed
EP-1622615-A2 NAPHTHYRIDINE INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2006-02-08 EP disclosed
US-20050154056-A1 [(hetero)aryl or cycloalkylacetylhydrazono]methylbenzene derivatives, o-substituted with (hetero)aryl- or cycloalkyl- sulfonyloxy-, sulfonylamino-, S(O)0-2methyl-, or methoxy- groups, e.g., 3-chloro-2-((E)-{[(3-methoxyphenyl)acetyl]hydrazono}methyl)phenyl 4-(trifluoromethyl)benzenesulfonate PHARMACIA & UPJOHN COMPANY 2005-07-14 US disclosed
WO-2004101512-A2 NAPHTHYRIDINE INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-11-25 WO disclosed
EP-1337535-B1 BENZODIAZEPINE DERIVATIVES AS GABA A RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2004-06-09 EP disclosed
US-6743789-B2 SUBSTITUTED IMIDAZO (1,5-A) (1,2,4) TRIAZOLO (4,3-D) (1,4) BENZODIAZEPINE DERIVATIVES ARE USEFUL FOR TREATING ALZHEIMER'S DISEASE; REACTING A BEZODIAZEPINE DERIVATIVE WITH A HYDRAZIDE DERIVATIVE TO FORM END PRODUCT HOFFMANN-LA ROCHE INC. 2004-06-01 US disclosed
CN-1479728-A Peroxisome proliferator activated receptor alpha agonists 2004-03-03 CN disclosed
EP-1337535-A2 BENZODIAZEPINE DERIVATIVES AS GABA A RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2003-08-27 EP disclosed
US-20020103371-A1 Substituted imidazo [1,5-a] [1,2,4] triazolo [4,3-d] [1,4] benzodiazepine derivatives HOFFMANN-LA ROCHE INC. 2002-08-01 US disclosed
WO-2002040487-A2 BENZODIAZEPINE DERIVATIVES AS GABA A RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2002-05-23 WO disclosed
US-4150139-A MUSCLE RELAXANTS, ANALGESICS, ANTIINFLAMMATORY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1979-04-17 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 (5 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-20020103371-A1 Substituted imidazo [1,5-a] [1,2,4] triazolo [4,3-d] [1,4] benzodiazepine derivatives GABRA5, GABRA1, GABRA4 POLB 4648/4885MAPK8 3578/4885USP2 4240/4885
US-20050154056-A1 [(hetero)aryl or cycloalkylacetylhydrazono]methylbenzene derivatives, o-substituted with (hetero)aryl- or cycloalkyl- sulfonyloxy-, sulfonylamino-, S(O)0-2methyl-, or methoxy- groups, e.g., 3-chloro-2-((E)-{[(3-methoxyphenyl)acetyl]hydrazono}methyl)phenyl 4-(trifluoromethyl)benzenesulfonate ACACB, HCCS, HAVCR2 POLB 887/4885MAPK8 3747/4885USP2 2244/4885
US-11136312-B2 3,4,5-trisubstituted-1,2,4-triazoles and 3,4,5-trisubstituted-3-thio-1,2,4-triazoles and uses thereof SSTR4, SSTR3, SSTR5 POLB 4880/4885MAPK8 1881/4885USP2 1670/4885
US-20220002274-A1 3,4,5-Trisubstituted-1,2,4-Triazoles and 3,4,5-Trisubstituted-3-Thio-1,2,4-Triazoles and Uses Thereof SSTR4, SSTR3, SSTR5 POLB 4880/4885MAPK8 1881/4885USP2 1670/4885
US-11912687-B2 3,4,5-trisubstituted-1,2,4-triazoles and 3,4,5-trisubstituted-3-thio-1,2,4-triazoles and uses thereof SSTR4, SSTR5, SSTR3 POLB 4868/4885MAPK8 1883/4885USP2 2175/4885

“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.