SCHEMBL17962159

SCHEMBL17962159

Nc1nc(C2=CCN(C(=O)O)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CNR1 P21554 1/20 0.34
MAPT P10636 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
PSMD14 O00487 1/20 0.34
PRKACA P17612 1/20 0.34
CASP6 P55212 1/20 0.34
NAMPT P43490 1/20 0.33
PRMT5 O14744 1/20 0.33
GRM5 P41594 1/20 0.33
GRM1 Q13255 1/20 0.33
TNK2 Q07912 1/20 0.32
GSTP1 P09211 1/20 0.32
GSTM2 P28161 1/20 0.32

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
SCHEMBL15985110 0.84 GRM1 (0.50) ALDH1A1MAPTNAMPTGRM5GRM1
SCHEMBL17962199 0.81 MEN1 (0.34) ALDH1A1MAPTMEN1KMT2APSMD14
SCHEMBL17973897 0.79 MEN1 (0.31) MAPTMEN1KMT2APSMD14PRKACA
SCHEMBL17962168 0.78 MEN1 (0.34) ALDH1A1SMN1; SMN2CNR1MAPTMEN1
SCHEMBL14761241 0.78 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL14761242 0.78 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL28734086 0.77 QDPR (0.44) ALDH1A1SMN1; SMN2CNR1MAPTMEN1
SCHEMBL15513241 0.76 NAMPT (0.43) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL15513239 0.76 NAMPT (0.43) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL17962232 0.75 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2CNR1MAPTMEN1

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 ALDH1A1 937/4885SMN1; SMN2 1709/4885CNR1 2987/4885

“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.