SCHEMBL10049205

SCHEMBL10049205

Cc1cc(N2CCN(C(=O)CNc3c(-c4ccc(N(C)C)cc4)nc4cnccn34)CC2)c2ccccc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 9/20 0.46
MAPT P10636 6/20 0.46
TP53 P04637 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
NCF1 P14598 2/20 0.46
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
CASP1 P29466 2/20 0.44
CASP7 P55210 2/20 0.44
HSD17B10 Q99714 2/20 0.44
ALOX15 P16050 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
BRD4 O60885 3/20 0.42
CDK9 P50750 1/20 0.40
LMNA P02545 2/20 0.40

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
SCHEMBL14963787 0.93 NCF1 (0.51) GAAMAPTNCF1KDM4EALDH1A1
SCHEMBL14963800 0.91 KDM4E (0.55) GAAMAPTNCF1KDM4EALDH1A1
SCHEMBL10048728 0.90 NCF1 (0.46) GAAMAPTTP53RXFP1NCF1
SCHEMBL10048674 0.89 NCF1 (0.45) GAAMAPTNCF1KDM4EALDH1A1
SCHEMBL15184016 0.88 GAA (0.49) GAAMAPTTP53RXFP1KDM4E
SCHEMBL14963865 0.87 ALDH1A1 (0.46) GAAMAPTNCF1KDM4EALDH1A1
SCHEMBL14969731 0.86 NCF1 (0.45) GAAMAPTTP53RXFP1NCF1
SCHEMBL14963695 0.85 NCF1 (0.47) GAAMAPTNCF1KDM4EALDH1A1
SCHEMBL15179308 0.84 GAA (0.46) GAAMAPTTP53RXFP1KDM4E
SCHEMBL10049146 0.84 GAA (0.57) GAAMAPTTP53RXFP1KDM4E

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 GAA 1859/4885MAPT 4606/4885TP53 1553/4885

“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.