SCHEMBL2364458

SCHEMBL2364458

CCCCCn1cnnc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.54
NPC1 O15118 8/20 0.43
RAB9A P51151 8/20 0.43
HTT P42858 6/20 0.43
LMNA P02545 3/20 0.43
APOBEC3A P31941 2/20 0.43
APOBEC3G Q9HC16 2/20 0.43
ALDH1A1 P00352 2/20 0.43
PABPC1 P11940 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
MAPK1 P28482 3/20 0.42
NPSR1 Q6W5P4 3/20 0.42
MAPT P10636 3/20 0.42
GALR3 O60755 2/20 0.42
POLB P06746 2/20 0.42
ATM Q13315 2/20 0.42
HSP90AA1 P07900 2/20 0.42
KDM4E B2RXH2 1/20 0.42
RAD52 P43351 1/20 0.42
PAX8 Q06710 1/20 0.42

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
SCHEMBL11376133 0.97 TBXAS1 (0.57) TBXAS1NPC1RAB9AHTTLMNA
SCHEMBL20441199 0.97 TBXAS1 (0.57) TBXAS1NPC1RAB9AHTTLMNA
SCHEMBL11369087 0.97 TBXAS1 (0.57) TBXAS1NPC1RAB9AHTTLMNA
SCHEMBL1820999 0.97 TBXAS1 (0.57) TBXAS1NPC1RAB9AHTTLMNA
SCHEMBL10981743 0.97 TBXAS1 (0.57) TBXAS1NPC1RAB9AHTTLMNA
SCHEMBL14247 0.92
Water SCHEMBL29031201 0.90 TBXAS1 (0.43) TBXAS1NPC1RAB9AHTTLMNA
Hydrochloric Acid SCHEMBL29031198 0.90 TBXAS1 (0.43) TBXAS1NPC1RAB9AHTTLMNA
SCHEMBL23316952 0.84 TBXAS1 (0.46) TBXAS1NPC1RAB9AHTTLMNA
SCHEMBL19413109 0.84 TBXAS1 (0.46) TBXAS1NPC1RAB9AHTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119585241-A AT2R antagonists and uses thereof 伊莱利利公司 2025-03-07 CN disclosed
US-20250074875-A1 AT2R ANTAGONISTS AND USES THEREOF ELI LILLY AND COMPANY 2025-03-06 US disclosed
US-12122750-B2 AT2R antagonists and uses thereof ELI LILLY AND COMPANY (US) 2024-10-22 US disclosed
US-20240231230-A1 COMPOSITION FOR FORMING SILICON-CONTAINING RESIST UNDERLAYER FILM NISSAN CHEMICAL CORPORATION (JP) 2024-07-11 US disclosed
US-20230373919-A1 AT2R ANTAGONISTS AND USES THEREOF ELI LILLY AND COMPANY 2023-11-23 US disclosed
US-20230373919-A1 AT2R ANTAGONISTS AND USES THEREOF ELI LILLY AND COMPANY 2023-11-23 US disclosed
WO-2023224853-A1 AT2R ANTAGONISTS AND USES THEREOF ELI LILLY AND COMPANY (US) 2023-11-23 WO disclosed
WO-2023224853-A1 AT2R ANTAGONISTS AND USES THEREOF ELI LILLY AND COMPANY (US) 2023-11-23 WO disclosed
WO-2023086638-A1 ENPP1 MODULATORS AND USES THEREOF Vir Biotechnology, Inc. (US) 2023-05-19 WO disclosed
US-20210147408-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 BRISTOL MYERS SQUIBB CO (US) 2021-05-20 US disclosed
US-7989579-B2 mixing hydrazine salts with dicarboxylic acids or derivatives in polyphosphoric acid, then heating, adding primary amines to the solution to form polyhydrazides and precipitating poly(1,2,4-triazole)-polymers from the solution; fibers and membranes for use in fuel cells GKSS-FORSCHUNGSZENTRUM GEESTHACHT GMBH (DE) 2011-08-02 US disclosed
US-20100168376-A1 PRODUCTION OF A FUNCTIONALIZED POLYTRIAZOLE POLYMER GKSS-FORSCHUNGSZENTRUM GEESTHACHT GMBH (DE) 2010-07-01 US disclosed
EP-1953186-B1 Manufacture of a functionalised polytriazol polymer GEESTHACHT GKSS FORSCHUNG (DE) 2009-09-02 EP disclosed
EP-1953186-A1 Manufacture of a functionalised polytriazol polymer GKSS-FORSCHUNGSZENTRUM GEESTHACHT GMBH (DE) 2008-08-06 EP disclosed
US-20080182964-A1 PRODUCTION OF A FUNCTIONALIZED POLYTRIAZOLE POLYMER GKSS-FORSCHUNGSZENTRUM GEESTHACHT GMBH (DE) 2008-07-31 US disclosed
US-4519940-A CONTAINING DOPED 1,3,4-TRIAZOLE RINGS CHEVRON RESEARCH COMPANY (US) 1985-05-28 US disclosed
EP-0065217-A2 5-Haloalkyl-1,2,4-triazole and process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1982-11-24 EP disclosed
US-4271308-A FUNGICIDES ROHM AND HAAS COMPANY (US) 1981-06-02 US disclosed
EP-0011693-A1 N-trifluoromethane-sulfonylaminophenyl-substituted N-heterocycles, their preparation, compositions containing them and their use in regulating plant growth CIBA-GEIGY AG (CH) 1980-06-11 EP disclosed
US-4120864-A FUNGICIDES ROHM AND HAAS COMPANY (US) 1978-10-17 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 (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-20210147408-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 LGALS3, LGALS1, LGALS3BP TBXAS1 2538/4885NPC1 1772/4885RAB9A 1654/4885
US-20230373919-A1 AT2R ANTAGONISTS AND USES THEREOF AGTR2, AGTR1, AVPR2 TBXAS1 550/4885NPC1 2373/4885RAB9A 2255/4885
US-20250074875-A1 AT2R ANTAGONISTS AND USES THEREOF AGTR2, AGTR1, AVPR2 TBXAS1 524/4885NPC1 2406/4885RAB9A 2273/4885
US-12122750-B2 AT2R antagonists and uses thereof AGTR2, AGTR1, AVPR2 TBXAS1 550/4885NPC1 2373/4885RAB9A 2255/4885

“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.