SCHEMBL9848091

SCHEMBL9848091

Nc1nnc(-c2ccccc2F)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 1.00
ALDH1A1 P00352 5/20 1.00
HSD17B10 Q99714 2/20 0.65
HPGD P15428 1/20 0.65
PIM1 P11309 1/20 0.56
PIM3 Q86V86 1/20 0.56
PIM2 Q9P1W9 1/20 0.56
MGAM O43451 5/20 0.56
GAA P10253 5/20 0.56
SI P14410 5/20 0.56
MGAM2 Q2M2H8 5/20 0.56
ALOX5AP P20292 1/20 0.50
FEN1 P39748 1/20 0.50
MPL P40238 1/20 0.50
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
RXFP1 Q9HBX9 1/20 0.47
EPHX2 P34913 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL30494622 1.00 KDM4E (1.00) KDM4EALDH1A1HSD17B10HPGDPIM1
SCHEMBL23631826 0.80 KDM4E (0.66) KDM4EALDH1A1HSD17B10HPGDPIM1
SCHEMBL28051097 0.80 KDM4E (0.67) KDM4EALDH1A1HSD17B10HPGDPIM1
SCHEMBL2359695 0.79 ALDH1A1 (0.66) KDM4EALDH1A1HSD17B10HPGDPIM1
SCHEMBL30494574 0.79 ALDH1A1 (0.66) KDM4EALDH1A1HSD17B10HPGDPIM1
SCHEMBL31536902 0.78 ALDH1A1 (0.65) KDM4EALDH1A1HSD17B10HPGDMGAM
SCHEMBL11332564 0.78 ALDH1A1 (0.65) KDM4EALDH1A1HSD17B10HPGDMGAM
SCHEMBL11331284 0.78 MGAM (0.67) KDM4EALDH1A1HSD17B10HPGDMGAM
SCHEMBL11326692 0.78 KDM4E (1.00) KDM4EALDH1A1HSD17B10HPGDMGAM
SCHEMBL28353369 0.78 ALDH1A1 (0.65) KDM4EALDH1A1HSD17B10HPGDMGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112279845-B Aryl or heteroaryl substituted thiadiazoles compounds and antibacterial application thereof 中国医学科学院药物研究所 2023-07-28 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
EP-3212644-B1 DERIVATIVES OF 2-(1,2,4-TRIAZOL-3-YLSULFANYL)-N-1,3,4-THIADIAZOL-2-YL ACETAMIDE WHICH ARE USEFUL FOR THE TREATMENT OF DIABETES APOGLYX AB (SE) 2021-05-05 EP disclosed
EP-3212644-B1 DERIVATIVES OF 2-(1,2,4-TRIAZOL-3-YLSULFANYL)-N-1,3,4-THIADIAZOL-2-YL ACETAMIDE WHICH ARE USEFUL FOR THE TREATMENT OF DIABETES APOGLYX AB (SE) 2021-05-05 EP disclosed
CN-112279845-A Aryl or heteroaryl substituted thiadiazole compounds and antibacterial application thereof 中国医学科学院药物研究所 2021-01-29 CN disclosed
CN-107001351-B Derivatives of 2- (1,2, 4-triazol-3-ylsulfanyl) -N-1,3, 4-thiadiazol-2-ylacetamide useful in the treatment of, in particular, diabetes 阿波格吕克斯有限公司 2020-06-05 CN disclosed
US-10130633-B2 Compounds BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-11-20 US disclosed
US-10011597-B2 Derivatives of 2-(1,2,4-triazol-3-ylsulfanyl)-N-1,3,4-thiadiazol-2-yl acetamide which are useful for the treatment of inter alia diabetes APOGLYX AB (SE) 2018-07-03 US disclosed
US-10011597-B2 Derivatives of 2-(1,2,4-triazol-3-ylsulfanyl)-N-1,3,4-thiadiazol-2-yl acetamide which are useful for the treatment of inter alia diabetes APOGLYX AB (SE) 2018-07-03 US disclosed
US-10011597-B2 Derivatives of 2-(1,2,4-triazol-3-ylsulfanyl)-N-1,3,4-thiadiazol-2-yl acetamide which are useful for the treatment of inter alia diabetes APOGLYX AB (SE) 2018-07-03 US disclosed
US-20160263122-A1 NOVEL COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-09-15 US disclosed
WO-2016066696-A1 DERIVATIVES OF 2-(1,2,4-TRIAZOL-3-YLSULFANYL)-N-1,3,4-THIADIAZOL-2-YL ACETAMIDE WHICH ARE USEFUL FOR THE TREATMENT OF INTER ALIA DIABETES APOGLYX AB (SE) 2016-05-06 WO disclosed
WO-2016066696-A1 DERIVATIVES OF 2-(1,2,4-TRIAZOL-3-YLSULFANYL)-N-1,3,4-THIADIAZOL-2-YL ACETAMIDE WHICH ARE USEFUL FOR THE TREATMENT OF INTER ALIA DIABETES APOGLYX AB (SE) 2016-05-06 WO disclosed
EP-2976327-A2 3-ACETYLAMINO-1-(PHENYL-HETEROARYL-AMINOCARBONYL OR PHENYL-HETEROARYL-CARBONYLAMINO)BENZENE DERIVATIVES FOR THE TREATMENT OF HYPERPROLIFERATIVE DISORDERS Bayer Pharma Aktiengesellschaft (DE) 2016-01-27 EP disclosed
CN-105228982-A 3-acetylamino-1- (phenyl-heteroaryl-aminocarbonyl or phenyl-heteroaryl-carbonylamino) benzene derivatives for the treatment of hyperproliferative disorders Bayer Pharma AG 2016-01-06 CN disclosed
WO-2014147021-A2 NOVEL COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-09-25 WO disclosed
EP-0453846-A2 Aryloxycarbonyl compounds BAYER AG (DE) 1991-10-30 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 (3 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-20160263122-A1 NOVEL COMPOUNDS NAT1, AADAC, CBR3 KDM4E 2232/4885ALDH1A1 264/4885HSD17B10 805/4885
US-10130633-B2 Compounds AADAC, NAT1, CBR3 KDM4E 2327/4885ALDH1A1 277/4885HSD17B10 1262/4885
US-10011597-B2 Derivatives of 2-(1,2,4-triazol-3-ylsulfanyl)-N-1,3,4-thiadiazol-2-yl acetamide which are useful for the treatment of inter alia diabetes AQP1, AQP3, AQP4 KDM4E 4747/4885ALDH1A1 1327/4885HSD17B10 2698/4885

“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.