SCHEMBL367666

SCHEMBL367666

Nc1nnc(-c2cccc([N+](=O)[O-])c2)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 1.00
MGAM O43451 4/20 1.00
SI P14410 4/20 1.00
MGAM2 Q2M2H8 4/20 1.00
PKM P14618 1/20 1.00
ALDH1A1 P00352 5/20 0.58
MAPT P10636 5/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
KDM4E B2RXH2 1/20 0.56
LMNA P02545 2/20 0.50
MYC P01106 1/20 0.50
WDR5 P61964 1/20 0.50
ROCK2 O75116 1/20 0.49
ROCK1 Q13464 1/20 0.49
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NOTUM Q6P988 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49

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 0.84 MGAM (0.72) GAAMGAMSIMGAM2PKM
SCHEMBL967793 0.82 MGAM (0.69) GAAMGAMSIMGAM2PKM
SCHEMBL10749428 0.82 MGAM (0.69) GAAMGAMSIMGAM2PKM
SCHEMBL368641 0.81 MGAM (1.00) GAAMGAMSIMGAM2PKM
SCHEMBL7535965 0.79 MGAM (0.66) GAAMGAMSIMGAM2PKM
SCHEMBL6153800 0.79 GAA (0.64) GAAMGAMSIMGAM2PKM
SCHEMBL15130146 0.79 MGAM (0.65) GAAMGAMSIMGAM2PKM
SCHEMBL16516070 0.78 MGAM (0.64) GAAMGAMSIMGAM2PKM
SCHEMBL15130069 0.78 MGAM (0.63) GAAMGAMSIMGAM2PKM
SCHEMBL6160095 0.77 ROCK2 (0.69) GAAMGAMSIMGAM2PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
US-9532989-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) 2017-01-03 US disclosed
US-9532989-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) 2017-01-03 US disclosed
US-20150374697-A1 ORGANIC COMPOUNDS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2015-12-31 US disclosed
US-20150374697-A1 ORGANIC COMPOUNDS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2015-12-31 US disclosed
US-20150374697-A1 ORGANIC COMPOUNDS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2015-12-31 US 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
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
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
US-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2005-03-24 US disclosed
EP-1446110-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES Structural Bioinformatics Inc. (US) 2004-08-18 EP disclosed
WO-2003032916-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES STRUCTURAL BIOINFORMATICS INC. (US) 2003-04-24 WO disclosed
EP-0089730-B1 GUANIDINO HETEROCYCLICPHENYLAMIDINES, PROCESSES FOR THEIR PREPARATION AND THEIR PHARMACEUTICAL USE ISTITUTO DE ANGELI S.p.A. (IT) 1987-05-27 EP disclosed
US-4645841-A ANTIULCER AGENTS ISTITUTO DE ANGELI, S.P.A. (IT) 1987-02-24 US disclosed
US-4548944-A ANTIULCER, ANTISECRETORY AGENTS ISTITUTO DE ANGELI S.P.A. (IT) 1985-10-22 US disclosed
EP-0089730-A2 Guanidino heterocyclicphenylamidines, processes for their preparation and their pharmaceutical use ISTITUTO DE ANGELI S.p.A. (IT) 1983-09-28 EP disclosed
EP-0005783-B1 IMIDAZO (2.1-B)-(1.3.4)-THIADIAZOLES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN MEDICAMENTS BAYER AG (DE) 1981-12-30 EP disclosed
US-4265898-A ANTICOAGULANTS BAYER AKTIENGESELLSCHAFT (DE) 1981-05-05 US disclosed
EP-0005783-A1 Imidazo (2.1-b)-(1.3.4)-thiadiazoles, process for their preparation and their use in medicaments BAYER AG (DE) 1979-12-12 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 (2 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-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases PTPRS, PTPRJ, PTPRCAP GAA 2365/4885MGAM 3845/4885SI 4535/4885
US-20150374697-A1 ORGANIC COMPOUNDS PLAT, ICAM1, VCAM1 GAA 1692/4885MGAM 3501/4885SI 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.