SCHEMBL21117699

SCHEMBL21117699

COC(=O)C(=N)Cc1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
POLB P06746 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MCL1 Q07820 1/20 0.44
LMNA P02545 1/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TSHR P16473 1/20 0.43
MAPT P10636 1/20 0.42

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
SCHEMBL8567705 0.81 SMN1; SMN2 (0.47) SMN1; SMN2MEN1KMT2ARAB9ANPC1
SCHEMBL29390571 0.80 SMN1; SMN2 (0.53) SMN1; SMN2MEN1KMT2ARAB9ANPC1
SCHEMBL78000 0.80 SMN1; SMN2 (0.53) SMN1; SMN2MEN1KMT2ARAB9ANPC1
Water SCHEMBL7798110 0.78 SMN1; SMN2 (0.51) SMN1; SMN2MEN1KMT2ARAB9ANPC1
Hydrochloric Acid SCHEMBL7500894 0.78 SMN1; SMN2 (0.51) SMN1; SMN2MEN1KMT2ARAB9ANPC1
SCHEMBL6447477 0.75 RAB9A (0.56) SMN1; SMN2RAB9ANPC1POLBCYP1A2
SCHEMBL19512770 0.75 ALDH1A1 (0.40) SMN1; SMN2MEN1KMT2ARAB9ANPC1
SCHEMBL18415567 0.74 SMN1; SMN2 (0.75) SMN1; SMN2MEN1KMT2ARAB9ANPC1
Methyl Alcohol SCHEMBL3396777 0.74 ALDH1A1 (0.53) SMN1; SMN2MEN1KMT2ARAB9ANPC1
SCHEMBL1258953 0.73 RAB9A (0.54) SMN1; SMN2RAB9ANPC1POLBCYP1A2

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 2 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

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 SMN1; SMN2 4568/4885MEN1 4531/4885KMT2A 2401/4885
US-10669242-B2 Clostridium difficile toxin inhibitors GABRA5, GABRA1, GABBR2 SMN1; SMN2 4410/4885MEN1 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.