SCHEMBL19699140

SCHEMBL19699140

Cc1ccc(C(=O)O)c(N=[N+]=[N-])c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 1/20 0.46
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 3/20 0.39
CLCN2 P51788 1/20 0.38
ACLY P53396 1/20 0.38
MCL1 Q07820 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
MAOB P27338 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
POLB P06746 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36

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
SCHEMBL22056276 0.82 NR4A2 (0.43) ALDH1A1CA12CA1CA2CA7
SCHEMBL28159004 0.81 NPC1 (0.33) CSNK2A1KMT2ASMN1; SMN2GAA
SCHEMBL13583644 0.81 KDM4E (0.43) ALDH1A1CA12CA1CA2CA4
SCHEMBL15290202 0.79 KDM4E (0.44) MEN1KMT2AALDH1A1ACLYPOLB
SCHEMBL29991245 0.79 KDM4E (0.50) MEN1KMT2AALDH1A1MCL1POLB
SCHEMBL19699143 0.79 KEAP1 (0.44) MEN1KMT2AALDH1A1CLCN2CA1
SCHEMBL19699133 0.79 SMN1; SMN2 (0.52) MEN1KMT2AALDH1A1CA1CA2
SCHEMBL19695114 0.79 AKR1C3 (0.47) ALDH1A1POLBSMN1; SMN2GAA
SCHEMBL28870972 0.78 CSNK2A1 (0.52) CSNK2A1MEN1KMT2AALDH1A1CLCN2
SCHEMBL24090269 0.76 F2R (0.39) CSNK2A1MEN1KMT2ASMN1; SMN2GAA

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 3 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-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

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 CSNK2A1 596/4885MEN1 4531/4885KMT2A 2401/4885
US-10669242-B2 Clostridium difficile toxin inhibitors GABRA5, GABRA1, GABBR2 CSNK2A1 748/4885MEN1 4285/4885KMT2A 2561/4885

“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.