SCHEMBL8671968

SCHEMBL8671968

Fc1ccc2c(c1)N=CC2

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 4/20 0.34
MAPK1 P28482 1/20 0.32
NOS3 P29474 2/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
ACHE P22303 1/20 0.32
PARP1 P09874 1/20 0.32
PARP10 Q53GL7 1/20 0.32
KDM1A O60341 1/20 0.31
KMT2A Q03164 1/20 0.31
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30

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
SCHEMBL10509271 0.79 PARP1 (0.33) HTR5AMAPK1NOS3NOS1NOS2
SCHEMBL21441336 0.74 MAOA (0.37)
SCHEMBL255506 0.74 HTR5A (0.34) HTR5ANOS3NOS1NOS2ACHE
SCHEMBL17177458 0.74
SCHEMBL6937488 0.72 CA1 (0.35) ACHEPARP1PARP10
SCHEMBL21441319 0.71 MAOA (0.37) MAPK1PARP1KMT2A
SCHEMBL3648624 0.71 HTR5A (0.36) HTR5AMAPK1NOS3NOS1NOS2
SCHEMBL18032673 0.71
SCHEMBL7038650 0.69 TRPA1 (0.44) NOS3NOS1NOS2KDM1A
SCHEMBL28825993 0.68 ALOX5 (0.45) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0881284-A1 Culture medium for the specific detection of enterobacteries, procedure for its obtention and use Société La Biochimie Appliquée - SO.LA.BI.A. (FR) 1998-12-02 EP 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
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
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
US-20200165230-A1 3,4,5-Trisubstituted-1,2,4-Triazoles and 3,4,5-Trisubstituted-3-Thio-1,2,4-Triazoles and Uses Thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-05-28 US disclosed
EP-3634406-A2 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 on behalf of Southern Illinois University Edwardsville (US) 2020-04-15 EP disclosed
WO-2018209267-A2 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 ON BEHALF OF SOUTHERN ILLINOIS UNIVERSITY EDWARDSVILLE (US) 2018-11-15 WO disclosed
EP-0881284-A1 Culture medium for the specific detection of enterobacteries, procedure for its obtention and use Société La Biochimie Appliquée - SO.LA.BI.A. (FR) 1998-12-02 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 (4 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-20200165230-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 HTR5A 74/4885MAPK1 2458/4885NOS3 812/4885
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 HTR5A 74/4885MAPK1 2458/4885NOS3 812/4885
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 HTR5A 74/4885MAPK1 2458/4885NOS3 812/4885
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 HTR5A 78/4885MAPK1 2004/4885NOS3 706/4885

“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.