SCHEMBL17973897

SCHEMBL17973897

CB(O)N1CC=C(c2ccc([N+](=O)[O-])c(N)n2)CC1

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
PSMD14 O00487 1/20 0.31
PRKACA P17612 1/20 0.31
CASP6 P55212 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 1/20 0.30
SIRT6 Q8N6T7 1/20 0.30

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
SCHEMBL17962159 0.79 ALDH1A1 (0.34) MEN1PSMD14PRKACACASP6KMT2A
SCHEMBL15985110 0.75 GRM1 (0.50) MAPT
SCHEMBL17973907 0.72 MAPT (0.47) MAPTSIRT6
SCHEMBL10201925 0.70 MAPT (0.39) MAPT
SCHEMBL14617530 0.68 KMT2A (0.40) KMT2AMAPT
SCHEMBL17962199 0.68 MEN1 (0.34) MEN1PSMD14PRKACACASP6KMT2A
SCHEMBL15985060 0.65 MAPT (0.42) MAPT
SCHEMBL10201924 0.64 DRD4 (0.39)
SCHEMBL13379895 0.64 ALDH1A1 (0.44) MEN1KMT2A
SCHEMBL13959305 0.64 HTR1A (0.36)

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-9856252-B2 2-(hetero)aryl-benzimidazole and imidazopyridine derivatives as inhibitors of asparagime emethyl transferase CANCER THERAPEUTICS CRC PTY LTD (AU) 2018-01-02 US disclosed
US-20160222005-A1 2-(HETERO)ARYL-BENZIMIDAZOLE AND IMIDAZOPYRIDINE DERIVATIVES AS INHIBITORS OF ASPARAGIME EMETHYL TRANSFERASE CANCER THERAPEUTICS CRC PTY LTD (AU) 2016-08-04 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 (1 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-20160222005-A1 2-(HETERO)ARYL-BENZIMIDAZOLE AND IMIDAZOPYRIDINE DERIVATIVES AS INHIBITORS OF ASPARAGIME EMETHYL TRANSFERASE B2M, HBG2, BCAT2 MEN1 2210/4885PSMD14 2036/4885PRKACA 2004/4885

“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.