SCHEMBL10048720

SCHEMBL10048720

O=C(CN1CCN(C(=O)CNc2c(-c3ccc(N4CCCC4)cc3)nc3cnccn23)CC1)Nc1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
ALDH1A1 P00352 3/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GAA P10253 7/20 0.44
KDM4E B2RXH2 6/20 0.44
CASP1 P29466 3/20 0.44
CASP7 P55210 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
TP53 P04637 1/20 0.44
ALOX5 P09917 1/20 0.43
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ALOX15 P16050 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
BTK Q06187 4/20 0.40
CDK9 P50750 1/20 0.39
GSK3B P49841 1/20 0.39
DYRK1A Q13627 1/20 0.39

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
SCHEMBL10048605 0.92 CDK9 (0.45) MAPTALDH1A1LMNASMN1; SMN2GAA
SCHEMBL10049225 0.90 KDM4E (0.53) ALDH1A1GAAKDM4ECASP1CASP7
SCHEMBL10049145 0.88 GAA (0.45) MAPTALDH1A1LMNAGAAKDM4E
SCHEMBL10048702 0.87 GAA (0.43) MAPTALDH1A1LMNASMN1; SMN2GAA
SCHEMBL10048671 0.87 ALOX5 (0.51) MAPTALDH1A1LMNASMN1; SMN2GAA
SCHEMBL14963821 0.86 CYP3A4 (0.45) ALDH1A1GAAKDM4ECASP1CASP7
SCHEMBL14963763 0.86 MAPT (0.44) MAPTALDH1A1LMNASMN1; SMN2GAA
SCHEMBL14963691 0.84 ALDH1A1 (0.40) MAPTALDH1A1LMNASMN1; SMN2GAA
SCHEMBL10049161 0.83 GAA (0.52) MAPTALDH1A1LMNAGAAKDM4E
SCHEMBL10049172 0.82 GAA (0.52) MAPTALDH1A1LMNAGAAKDM4E

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-20130131073-A1 FUSED-IMIDAZOYL COMPOUNDS USEFUL AS ANTIMICROBIAL AGENTS MERCK SHARP & DOHME CORP. 2013-05-23 US disclosed
US-20130131073-A1 FUSED-IMIDAZOYL COMPOUNDS USEFUL AS ANTIMICROBIAL AGENTS MERCK SHARP & DOHME CORP. 2013-05-23 US disclosed
WO-2012018665-A1 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-20130131073-A1 FUSED-IMIDAZOYL COMPOUNDS USEFUL AS ANTIMICROBIAL AGENTS MRPL21, ARG1, RPS4Y1 MAPT 4606/4885ALDH1A1 1069/4885LMNA 3762/4885

“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.