SCHEMBL17547289

SCHEMBL17547289

Cc1nc2c(c(=O)[nH]1)NNN2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 9/20 0.40
▸ TNKS2 Q9H2K2 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ TYMS P04818 2/20 0.35
▸ GAA P10253 2/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL18519933 0.75 NOS1 (0.42) ALDH1A1KDM4ETYMSHIF1AUSP2
SCHEMBL172127 0.61 ALDH1A1 (0.58) PARP1TNKS2ALDH1A1L3MBTL1MAPK1
SCHEMBL8312414 0.58 — —
SCHEMBL22715212 0.58 ALDH1A1 (0.65) PARP1TNKS2ALDH1A1L3MBTL1MAPK1
SCHEMBL10150406 0.58 ALDH1A1 (0.43) PARP1TNKS2ALDH1A1L3MBTL1MAPK1
SCHEMBL12102097 0.58 PARP1 (0.42) PARP1ALDH1A1L3MBTL1KDM4ECYP1A2
SCHEMBL8278859 0.57 PARP1 (0.56) PARP1TNKS2ALDH1A1KDM4ECYP1A2
SCHEMBL15840543 0.57 PARP1 (1.00) PARP1TNKS2ALDH1A1KDM4ECYP1A2
SCHEMBL16298727 0.56 MAPK1 (1.00) ALDH1A1L3MBTL1MAPK1KDM4ECYP1A2
SCHEMBL21374528 0.56 PARP1 (0.38) PARP1TNKS2ALDH1A1L3MBTL1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3186227-B1 NOVEL SULFONYLAMINOBENZAMIDE COMPOUNDS AS ANTHELMINTICS ELANCO TIERGESUNDHEIT AG (CH) 2021-03-24 — — EP disclosed
EP-3792251-A1 NOVEL SULFONYLAMINOBENZAMIDE COMPOUNDS AS ANTHELMINTICS Elanco Tiergesundheit AG (CH) 2021-03-17 — — EP disclosed
US-10464889-B2 Sulfonylaminobenzamide compounds as anthelmintics ELANCO TIERGESUNDHEIT AG (US) 2019-11-05 — — US disclosed
US-20170226053-A1 NOVEL SULFONYLAMINOBENZAMIDE COMPOUNDS AS ANTHELMINTICS NOVARTIS TIERGESUNDHEIT AG (CH) 2017-08-10 — — US disclosed
WO-2016033341-A1 NOVEL SULFONYLAMINOBENZAMIDE COMPOUNDS AS ANTHELMINTICS NOVARTIS TIERGESUNDHEIT AG (CH) 2016-03-03 — — WO disclosed
EP-2990403-A1 ANTHRANILAMIDES, SULFONAMIDES AND NITRO ANALOGUES DERIVED THEREFROM AS ANTHELMINTICS Novartis Tiergesundheit AG (CH) 2016-03-02 — — 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-20170226053-A1 NOVEL SULFONYLAMINOBENZAMIDE COMPOUNDS AS ANTHELMINTICS PKD2, CATSPER1, PKD1 PARP1 4247/4885TNKS2 4046/4885ALDH1A1 1365/4885
US-10464889-B2 Sulfonylaminobenzamide compounds as anthelmintics PKD2, CATSPER1, ATP1B2 PARP1 4299/4885TNKS2 4152/4885ALDH1A1 1120/4885

“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.

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