SCHEMBL368641

SCHEMBL368641

Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 6/20 1.00
GAA P10253 6/20 1.00
SI P14410 6/20 1.00
MGAM2 Q2M2H8 6/20 1.00
PKM P14618 1/20 0.68
ALDH1A1 P00352 4/20 0.60
MAPT P10636 3/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
CSNK2A2 P19784 3/20 0.56
CSNK2B P67870 3/20 0.56
CSNK2A1 P68400 3/20 0.56
KDM4E B2RXH2 5/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
LMNA P02545 1/20 0.56
NOTUM Q6P988 1/20 0.56
HPGD P15428 2/20 0.53
HSD17B10 Q99714 2/20 0.53
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51

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
SCHEMBL27965552 0.83 MGAM (0.72) MGAMGAASIMGAM2PKM
SCHEMBL367666 0.81 GAA (1.00) MGAMGAASIMGAM2PKM
SCHEMBL10752099 0.79 MGAM (0.66) MGAMGAASIMGAM2PKM
SCHEMBL13723187 0.79 GAA (0.66) MGAMGAASIMGAM2ALDH1A1
SCHEMBL968285 0.79 MGAM (0.66) MGAMGAASIMGAM2PKM
SCHEMBL28850576 0.79 MGAM (0.65) MGAMGAASIMGAM2PKM
SCHEMBL27915214 0.78 GAA (0.63) MGAMGAASIMGAM2PKM
SCHEMBL15130146 0.78 MGAM (0.65) MGAMGAASIMGAM2PKM
SCHEMBL15130069 0.76 MGAM (0.63) MGAMGAASIMGAM2PKM
SCHEMBL5172858 0.76 GAA (0.60) MGAMGAASIMGAM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119371374-A Green synthesis method of 2-amino-5-aryl-1, 3, 4-thiadiazole 陕西科技大学 2025-01-28 CN disclosed
CN-118255729-A Method for synthesizing 2-amino-5-substituted-1, 3, 4-thiadiazole 陕西科技大学 2024-06-28 CN disclosed
CN-118221668-A Indometacin derivative containing 2-amino-1, 3, 4-thiadiazole and preparation method and application thereof 华南农业大学 2024-06-21 CN disclosed
WO-2023101326-A1 NOVEL COMPOUND AS AUTOTAXIN INHIBITOR AND USE THEREOF 주식회사 넥스트젠바이오사이언스 2023-06-08 WO disclosed
CN-110878106-B Preparation method of Mannich base containing ferrocenyl thiadiazole or oxadiazolyl 陕西科技大学 2022-05-03 CN disclosed
CN-110627783-B Preparation method of Schiff base containing carbazolyl and oxadiazolyl or thiadiazolyl 陕西科技大学 2021-11-16 CN disclosed
CN-112920181-A N- (5-phenyl-1, 3, 4-thiadiazole-2-yl) benzamide compound 中国医科大学 2021-06-08 CN disclosed
CN-110878106-A Preparation method of Mannich base containing ferrocenyl thiadiazole or oxadiazolyl 陕西科技大学 2020-03-13 CN disclosed
CN-110759955-A Preparation method of Mannich base containing ferrocenyl thiadiazole or oxadiazolyl 陕西科技大学 2020-02-07 CN disclosed
CN-110627783-A Preparation method of Schiff base containing carbazolyl and oxadiazolyl or thiadiazolyl 陕西科技大学 2019-12-31 CN disclosed
US-9066948-B2 Oxadiazolo[3,2-a]pyrimidines and thiadiazolo[3,2-a]pyrimidines THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2015-06-30 US disclosed
WO-2014147021-A2 NOVEL COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-09-25 WO disclosed
CN-103936691-A Method for preparing 2-amino-5-substituted-1,3,4-thiadiazole UNIV SHAANXI SCIENCE & TECH 2014-07-23 CN disclosed
CN-103936692-A Method for preparing 2-amino-5-aryl-1,3,4-thiadiazole UNIV SHAANXI SCIENCE & TECH 2014-07-23 CN disclosed
CN-103864776-A Tegafur derivative containing 1,3,4-thiadiazole heterocyclic ring and amide group INST OF MATERIA MEDICA SHANDONG ACADEMY OF MEDICAL SCIENCES 2014-06-18 CN disclosed
US-20130251761-A1 ORGANIC COMPOUNDS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-09-26 US disclosed
EP-2593106-A1 ORGANIC COMPOUNDS Rockefeller University (US) 2013-05-22 EP disclosed
WO-2012009688-A1 ORGANIC COMPOUNDS ROCKEFELLER UNIVERSITY (US) 2012-01-19 WO disclosed
US-4233214-A FOR POLYACRYLONITRILE AND ACID-MODIFIED POLYESTERS OR POLYAMIDES BAYER AKTIENGESELLSCHAFT (DE) 1980-11-11 US disclosed
US-4036826-A Cationic azo dyestuffs with a hydroxyalkylated ammonium group BAYER AKTIENGESELLSCHAFT (DT) 1977-07-19 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 (1 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-20130251761-A1 ORGANIC COMPOUNDS PLAT, ICAM1, VCAM1 MGAM 3501/4885GAA 1692/4885SI 4217/4885

“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.