SCHEMBL17973873

SCHEMBL17973873

Nc1ccccc1/N=C/c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.55
ALDH1A1 P00352 4/20 0.55
MAPT P10636 3/20 0.55
LMNA P02545 3/20 0.55
HPGD P15428 2/20 0.55
GAA P10253 5/20 0.50
RAB9A P51151 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
NPC1 O15118 2/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
HTT P42858 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
POLB P06746 1/20 0.49
BLM P54132 1/20 0.49
LIG1 P18858 2/20 0.45
GLA P06280 2/20 0.44
PKM P14618 1/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL28599218 1.00 KDM4E (0.55) KDM4EALDH1A1MAPTLMNAHPGD
SCHEMBL28219127 0.84 GAA (0.43) KDM4EALDH1A1MAPTLMNAHPGD
SCHEMBL12633216 0.84 LMNA (0.59) KDM4EALDH1A1MAPTLMNAHPGD
SCHEMBL1870853 0.84 LMNA (0.59) KDM4EALDH1A1MAPTLMNAHPGD
SCHEMBL1710167 0.84 LMNA (0.59) KDM4EALDH1A1MAPTLMNAHPGD
SCHEMBL5081728 0.83 MAPT (0.53) KDM4EALDH1A1MAPTLMNAHPGD
SCHEMBL5081727 0.83 MAPT (0.53) KDM4EALDH1A1MAPTLMNAHPGD
SCHEMBL11423398 0.82 DHODH (0.64) KDM4EALDH1A1MAPTLMNAHPGD
SCHEMBL11423396 0.82 DHODH (0.64) KDM4EALDH1A1MAPTLMNAHPGD
SCHEMBL5085334 0.81 MAPT (0.51) KDM4EALDH1A1MAPTLMNAHPGD

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 KDM4E 1097/4885ALDH1A1 937/4885MAPT 4755/4885

“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.