SCHEMBL19694359

SCHEMBL19694359

CCOC(=O)C(Cc1cnccn1)N=C(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 4/20 0.43
VNN1 O95497 1/20 0.41
NLRP3 Q96P20 2/20 0.40
TBXA2R P21731 2/20 0.40
AAK1 Q2M2I8 1/20 0.40
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
NPC1 O15118 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
HIF1A Q16665 1/20 0.39
PSMB5 P28074 1/20 0.38
GAA P10253 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
SCHEMBL14338239 0.85 VNN1 (0.44) TBXAS1VNN1TBXA2RAAK1KMT2A
SCHEMBL6496781 0.84 NLRP3 (0.42) TBXAS1NLRP3TBXA2RAAK1MEN1
SCHEMBL4469552 0.79 TBXAS1 (0.45) TBXAS1TBXA2RMEN1KMT2ANPC1
SCHEMBL20502435 0.78 HSD17B10 (0.43) TBXAS1NLRP3TBXA2RAAK1MEN1
SCHEMBL21879196 0.78 ALDH1A1 (0.41) TBXAS1AAK1MEN1KMT2ANPC1
SCHEMBL24982012 0.77 AAK1 (0.40) TBXAS1AAK1MEN1KMT2ANPC1
SCHEMBL5928301 0.77 MEN1 (0.51) TBXAS1AAK1MEN1KMT2ANPC1
SCHEMBL16245 0.76 AAK1 (0.39) TBXAS1AAK1MEN1KMT2ANPC1
SCHEMBL6374186 0.76 AAK1 (0.39) TBXAS1AAK1MEN1KMT2ANPC1
SCHEMBL13933854 0.76 ALDH1A1 (0.42) TBXAS1AAK1MEN1KMT2ANPC1

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
US-10669242-B2 Clostridium difficile toxin inhibitors Venenum Biodesign, LLC (US) 2020-06-02 US disclosed
US-10669242-B2 Clostridium difficile toxin inhibitors Venenum Biodesign, LLC (US) 2020-06-02 US disclosed
US-20190194147-A1 Novel Clostridium Difficile Toxin Inhibitors Venenum Biodesign, LLC (US) 2019-06-27 US disclosed
US-20190194147-A1 Novel Clostridium Difficile Toxin Inhibitors Venenum Biodesign, LLC (US) 2019-06-27 US disclosed
WO-2017214359-A1 NOVEL CLOSTRIDIUM DIFFICILE TOXIN INHIBITORS VENENUM BIODESIGN LLC (US) 2017-12-14 WO disclosed
WO-2017214359-A1 NOVEL CLOSTRIDIUM DIFFICILE TOXIN INHIBITORS VENENUM BIODESIGN LLC (US) 2017-12-14 WO 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-20190194147-A1 Novel Clostridium Difficile Toxin Inhibitors GABRA5, GABRA1, GABRA4 TBXAS1 949/4885VNN1 1008/4885NLRP3 1891/4885
US-10669242-B2 Clostridium difficile toxin inhibitors GABRA5, GABRA1, GABBR2 TBXAS1 903/4885VNN1 1053/4885NLRP3 2221/4885

“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.