SCHEMBL2824892

SCHEMBL2824892

NNC(=O)Cn1ccnc1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.66
EGLN3 Q9H6Z9 1/20 0.52
CYP19A1 P11511 1/20 0.50
KDM4E B2RXH2 1/20 0.47
AHR P35869 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TBXAS1 P24557 3/20 0.46
ALPI P09923 1/20 0.44
ALPG P10696 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PLAA Q9Y263 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HMOX2 P30519 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
SCHEMBL4415625 0.81 EGLN3 (0.62) ALDH1A1EGLN3TBXAS1L3MBTL1
SCHEMBL7006174 0.81 ALDH1A1 (0.66) ALDH1A1EGLN3CYP19A1KDM4EAHR
SCHEMBL77978 0.79
SCHEMBL8429681 0.78 ALDH1A1 (0.61) ALDH1A1EGLN3CYP19A1KDM4EAHR
SCHEMBL27785516 0.78 ALDH1A1 (0.96) ALDH1A1EGLN3CYP19A1TBXAS1HMOX2
SCHEMBL1179222 0.78
Bromide SCHEMBL6988476 0.78 ALDH1A1 (0.96) ALDH1A1EGLN3CYP19A1TBXAS1HMOX2
Hydrochloric Acid SCHEMBL1904485 0.78 ALDH1A1 (0.96) ALDH1A1EGLN3CYP19A1TBXAS1HMOX2
SCHEMBL28119672 0.78 ALDH1A1 (0.96) ALDH1A1EGLN3CYP19A1TBXAS1HMOX2
SCHEMBL7241523 0.77 ALDH1A1 (0.72) ALDH1A1EGLN3CYP19A1ALPIALPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4185575-B1 HETEROARYL-METHYL SUBSTITUTED TRIAZOLES AS VASOPRESSIN RECEPTOR V1A ANTAGONISTS HOFFMANN LA ROCHE (CH) 2024-08-28 EP disclosed
CN-116234801-A Heteroaryl-methyl substituted triazoles as vasopressin receptor V1A antagonists 豪夫迈·罗氏有限公司 2023-06-06 CN disclosed
EP-4185575-A1 HETEROARYL-METHYL SUBSTITUTED TRIAZOLES AS VASOPRESSIN RECEPTOR V1 A ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2023-05-31 EP disclosed
US-20230150995-A1 HETEROARYL-METHYL SUBSTITUTED TRIAZOLES HOFFMANN-LA ROCHE INC. (US) 2023-05-18 US disclosed
CN-105890063-B Vertical air eliminator 刘世超 2019-04-05 CN disclosed
US-20180282331-A1 7-Oxo -6-(sulfooxy)- 1,6-diazabicyclo [3.2.1] octane containing compounds and their use in treatment of bacterial infections (changed by PCT to: 7-OXO -6-(SULFOOXY)- 1,6-DIAZABICYCLO [3.2.1] OCTANE CONTAINING COMPOUNDS AND THEIR USE IN TREATMENT OF BACTERIAL INFECTIONS WOCKHARDT LIMITED (IN) 2018-10-04 US disclosed
WO-2017081615-A1 7-OXO -6-(SULFOOXY)- 1,6-DIAZABICYCLO [3.2.1] OCTANE CONTAINING COMPOUNDS AND THEIR USE IN TREATMENT OF BACTERIAL INFECTIONS WOCKHARDT LIMITED (IN) 2017-05-18 WO disclosed
CN-106004353-A Vehicle-mounted air purification device 刘世超 2016-10-12 CN disclosed
CN-105890063-A Three-dimensional air purifier 刘世超 2016-08-24 CN disclosed
EP-1937688-B1 IMIDAZO BENZODIAZEPINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-08-11 EP disclosed
US-7507729-B2 for the treatment of cognitive disorders, anxiety, schizophrenia, and Alzheimer's disease; ligands; GABA A alpha 5 receptor inhibitors; 3-bromo-10-chloro-6-(2-oxo-pyrrolidin-1-ylmethyl)-9H-imidazo[1,5-a][1,2,4]triazolo[1,5-d][1,4]benzodiazepine HOFFMANN-LA ROCHE INC. (US) 2009-03-24 US disclosed
EP-1937688-A1 IMIDAZO BENZODIAZEPINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-07-02 EP disclosed
WO-2007042421-A1 IMIDAZO BENZODIAZEPINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-04-19 WO disclosed
US-20070082890-A1 Substituted imidazo-[1,5-a][1,2,4]triazolo[1,5-d][1,4] benzodiazepine derivatives BANK OF AMERICA, N.A., AS ADMINISTRATIVE AGENT 2007-04-12 US disclosed
EP-0396769-B1 AZOXY COMPOUND KOWA CO. LTD. (JP) 1993-03-10 EP disclosed
US-5093480-A Fungicides KOWA COMPANY, LTD. (JP) 1992-03-03 US disclosed
EP-0396769-A1 AZOXY COMPOUND KOWA CO. LTD. (JP) 1990-11-14 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-20230150995-A1 HETEROARYL-METHYL SUBSTITUTED TRIAZOLES CYP3A43, CYP3A4, CYP4B1 ALDH1A1 943/4885EGLN3 985/4885CYP19A1 58/4885
US-20180282331-A1 7-Oxo -6-(sulfooxy)- 1,6-diazabicyclo [3.2.1] octane containing compounds and their use in treatment of bacterial infections (changed by PCT to: 7-OXO -6-(SULFOOXY)- 1,6-DIAZABICYCLO [3.2.1] OCTANE CONTAINING COMPOUNDS AND THEIR USE IN TREATMENT OF BACTERIAL INFECTIONS TST, THPO, STS ALDH1A1 2258/4885EGLN3 2446/4885CYP19A1 1843/4885
US-20070082890-A1 Substituted imidazo-[1,5-a][1,2,4]triazolo[1,5-d][1,4] benzodiazepine derivatives GABRA5, GABRA1, GABRA4 ALDH1A1 313/4885EGLN3 4528/4885CYP19A1 704/4885

“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.