SCHEMBL22038232

SCHEMBL22038232

CC(C)(C)OC(=O)NCCCCCNC(=S)CCc1c[nH]c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.50
FAAH O00519 2/20 0.50
IDO1 P14902 2/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
PKM P14618 1/20 0.49
TSHR P16473 1/20 0.49
CYP2C19 P33261 1/20 0.49
BLM P54132 1/20 0.49
CTSL P07711 1/20 0.48
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48
MAPT P10636 1/20 0.47
CAMK2D Q13557 1/20 0.47

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
SCHEMBL22038614 0.99 FAAH (0.51) MTNR1AFAAHIDO1MEN1KMT2A
SCHEMBL22039146 0.95 FAAH (0.53) MTNR1AFAAHIDO1MEN1KMT2A
SCHEMBL22038231 0.90 MTNR1A (0.60) MTNR1AMEN1KMT2AMAPT
SCHEMBL30561254 0.89 MEN1 (0.61) MTNR1AFAAHMEN1KMT2ALMNA
SCHEMBL22038251 0.89 MEN1 (0.61) MTNR1AFAAHMEN1KMT2ALMNA
SCHEMBL7846607 0.87 FAAH (0.58) MTNR1AFAAHIDO1MEN1KMT2A
SCHEMBL18607541 0.87 MEN1 (0.68) MTNR1AMEN1KMT2ACYP1A2CYP2C19
SCHEMBL5745010 0.85 MEN1 (0.67) MTNR1AFAAHMEN1KMT2ALMNA
SCHEMBL30561257 0.84 MAPT (0.61) MTNR1AFAAHMEN1KMT2ALMNA
SCHEMBL22039141 0.84 MAPT (0.61) MTNR1AFAAHMEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 MTNR1A 205/4885FAAH 1074/4885IDO1 1378/4885
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 MTNR1A 205/4885FAAH 1074/4885IDO1 1378/4885
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 MTNR1A 205/4885FAAH 1074/4885IDO1 1378/4885
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 MTNR1A 178/4885FAAH 1076/4885IDO1 1463/4885

“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.