SCHEMBL17962199

SCHEMBL17962199

Nc1nc(C2=CCCN(C(=O)O)C2)ccc1[N+](=O)[O-]

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
PSMD14 O00487 1/20 0.34
PRKACA P17612 1/20 0.34
CASP6 P55212 1/20 0.34
KMT2A Q03164 1/20 0.34
POLB P06746 3/20 0.32
TDP1 Q9NUW8 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPK1 P28482 3/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
LMNA P02545 2/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
PKM P14618 1/20 0.30
HPGD P15428 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
SCHEMBL15985060 0.85 MAPT (0.42) MAPK1ALDH1A1MAPTLMNA
SCHEMBL17962159 0.81 ALDH1A1 (0.34) MEN1PSMD14PRKACACASP6KMT2A
SCHEMBL23089302 0.78 CPT2 (0.35) LMNAIRAK4PKM
SCHEMBL15972208 0.75 INPPL1 (0.34) MEN1KMT2APOLBTDP1ALDH1A1
SCHEMBL23122347 0.73 MAPT (0.43) CASP6POLBTDP1L3MBTL1MAPK1
SCHEMBL15972013 0.71 ALDH1A1 (0.49) POLBTDP1MAPK1ALDH1A1MAPT
SCHEMBL15972015 0.71 ALDH1A1 (0.49) POLBTDP1MAPK1ALDH1A1MAPT
SCHEMBL23705522 0.70 KDM4E (0.40) ALDH1A1
SCHEMBL15985110 0.68 GRM1 (0.50) ALDH1A1MAPTLMNA
SCHEMBL13490403 0.68 CHRM1 (0.45) IRAK4

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-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
EP-2958898-B1 2-(HETERO)ARYL-BENZIMIDAZOLE AND IMIDAZOPYRIDINE DERIVATIVES AS INHIBITORS OF ASPARAGIME EMETHYL TRANSFERASE CANCER THERAPEUTICS CRC PTY LTD (AU) 2017-07-19 EP 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.