SCHEMBL17836550

SCHEMBL17836550

Nc1nnc(-c2ccncc2F)s1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.64
ALDH1A1 P00352 7/20 0.64
HSD17B10 Q99714 3/20 0.53
HPGD P15428 2/20 0.53
SMN1; SMN2 Q16637 3/20 0.51
MGAM O43451 6/20 0.42
GAA P10253 6/20 0.42
SI P14410 6/20 0.42
MGAM2 Q2M2H8 6/20 0.42
RAB9A P51151 2/20 0.42
NUDT1 P36639 1/20 0.40
LMNA P02545 1/20 0.40
NOTUM Q6P988 1/20 0.40
PIM1 P11309 1/20 0.39
PIM3 Q86V86 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
EPHX2 P34913 1/20 0.39
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL17835698 0.79 KDM4E (0.53) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL17180455 0.79 KDM4E (0.39) KDM4EALDH1A1SMN1; SMN2RAB9ANUDT1
SCHEMBL30494622 0.78 KDM4E (1.00) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL9848091 0.78 KDM4E (1.00) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL17101558 0.76 KDM4E (0.53) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL17835782 0.75 GAA (0.38) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL3886040 0.74 MAP2K1 (0.43) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL30494574 0.74 ALDH1A1 (0.66) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL2359695 0.74 ALDH1A1 (0.66) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL25375220 0.72 LIMK1 (0.56) KDM4EALDH1A1SMN1; SMN2RAB9ANUDT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190046515-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2019-02-14 US disclosed
US-20190046515-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2019-02-14 US disclosed
US-10130619-B2 Amido thiadiazole derivatives as NADPH oxidase inhibitors GENKYOTEX SUISSE SA (CH) 2018-11-20 US disclosed
US-20170348296-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SUISSE SA (CH) 2017-12-07 US disclosed
US-20170348296-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SUISSE SA (CH) 2017-12-07 US disclosed
US-20170348296-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SUISSE SA (CH) 2017-12-07 US disclosed
EP-3233847-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GenKyoTex Suisse SA (CH) 2017-10-25 EP disclosed
WO-2016098005-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2016-06-23 WO disclosed
WO-2016098005-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2016-06-23 WO disclosed
EP-3034500-A1 Amido thiazole derivatives as NADPH oxidase inhibitors GENKYOTEX SA (CH) 2016-06-22 EP disclosed
EP-3034500-A1 Amido thiazole derivatives as NADPH oxidase inhibitors GENKYOTEX SA (CH) 2016-06-22 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-20170348296-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS NOX1, NOX5, CYBB KDM4E 4240/4885ALDH1A1 213/4885HSD17B10 427/4885
US-20190046515-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS NOX1, NOX5, CYBB KDM4E 4240/4885ALDH1A1 213/4885HSD17B10 427/4885
US-10130619-B2 Amido thiadiazole derivatives as NADPH oxidase inhibitors NOX1, NOX5, CYBB KDM4E 4240/4885ALDH1A1 213/4885HSD17B10 427/4885

“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.