SCHEMBL10120381

SCHEMBL10120381

CN(C)c1ccc(-c2nc3ccccn3c2NCC(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.59
TP53 P04637 2/20 0.59
ALDH1A1 P00352 5/20 0.58
GAA P10253 5/20 0.58
KDM4E B2RXH2 4/20 0.58
HPGD P15428 4/20 0.58
HSD17B10 Q99714 2/20 0.58
TSHR P16473 1/20 0.58
NTRK1 P04629 3/20 0.54
PKM P14618 2/20 0.53
TOP2A P11388 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
ADRA1B P35368 1/20 0.48
RAB9A P51151 6/20 0.47
NPC1 O15118 4/20 0.47
MAPK1 P28482 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GFER P55789 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL15183970 0.89 GAA (0.64) MAPTTP53ALDH1A1GAAKDM4E
SCHEMBL15179377 0.84 MAPT (0.65) MAPTTP53ALDH1A1GAAKDM4E
SCHEMBL12351519 0.81 PLAU (0.64) MAPTTP53ALDH1A1GAAKDM4E
SCHEMBL15179375 0.80 MAPT (0.70) MAPTTP53ALDH1A1GAAKDM4E
SCHEMBL15152564 0.80 MAPT (0.84) MAPTTP53ALDH1A1GAAKDM4E
SCHEMBL12351566 0.80 MAPT (0.73) MAPTTP53ALDH1A1KDM4EHPGD
SCHEMBL10120623 0.79 MAPT (0.47) MAPTTP53ALDH1A1GAAKDM4E
SCHEMBL10120315 0.79 MAPT (0.49) MAPTTP53ALDH1A1GAAKDM4E
SCHEMBL17833793 0.79 BRD4 (0.75) ALDH1A1GAAKDM4EHPGDHSD17B10
SCHEMBL22780031 0.79 GAA (0.71) MAPTALDH1A1GAAKDM4EHPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2601194-B1 FUSED-IMIDAZOYL COMPOUNDS USEFUL AS ANTIMICROBIAL AGENTS MERCK SHARP & DOHME (US) 2016-05-25 EP disclosed
US-8871929-B2 Fused-imidazoyl compounds useful as antimicrobial agents MERCK SHARP & DOHME CORP. (US) 2014-10-28 US disclosed
US-20130210816-A1 FUSED-IMIDAZOYL COMPOUNDS USEFUL AS ANTIMICROBIAL AGENTS MERCK SHARP & DOHME LLC 2013-08-15 US disclosed
WO-2012018662-A2 FUSED-IMIDAZOYL COMPOUNDS USEFUL AS ANTIMICROBIAL AGENTS SCHERING CORPORATION (US) 2012-02-09 WO 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-20130210816-A1 FUSED-IMIDAZOYL COMPOUNDS USEFUL AS ANTIMICROBIAL AGENTS MRPL21, ARG1, RPS4Y1 MAPT 4607/4885TP53 2385/4885ALDH1A1 2376/4885

“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.