SCHEMBL10120193

SCHEMBL10120193

Cc1ccn2c(NCC(=O)N3CCN(c4c(Cl)cncc4Cl)CC3)c(-c3ccc(N4CCOCC4)cc3)nc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 9/20 0.51
MAPT P10636 8/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
RXFP1 Q9HBX9 2/20 0.51
KDM4E B2RXH2 7/20 0.44
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
TP53 P04637 3/20 0.41
CASP1 P29466 2/20 0.41
CASP7 P55210 2/20 0.41
ALOX5 P09917 4/20 0.41
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HSD17B10 Q99714 1/20 0.39
EPHX2 P34913 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PKM P14618 1/20 0.38
PKLR P30613 1/20 0.38
IGF1R P08069 1/20 0.38

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
SCHEMBL15179301 0.93 GAA (0.43) GAAMAPTSMN1; SMN2RXFP1KDM4E
SCHEMBL10120061 0.90 GAA (0.40) GAAMAPTSMN1; SMN2RXFP1KDM4E
SCHEMBL15179369 0.89 GAA (0.40) GAAMAPTSMN1; SMN2RXFP1KDM4E
SCHEMBL15179304 0.89 GAA (0.40) GAAMAPTSMN1; SMN2RXFP1KDM4E
SCHEMBL10120068 0.88 ALOX5 (0.53) GAAMAPTSMN1; SMN2RXFP1KDM4E
SCHEMBL10120187 0.88 ALOX5 (0.51) GAAMAPTSMN1; SMN2RXFP1KDM4E
SCHEMBL15179454 0.85 ALOX5 (0.54) GAAMAPTSMN1; SMN2KDM4ERAB9A
SCHEMBL10120067 0.84 MAPT (0.52) GAAMAPTSMN1; SMN2RXFP1KDM4E
SCHEMBL15179316 0.84 ALOX5 (0.45) GAAMAPTSMN1; SMN2KDM4ERAB9A
SCHEMBL15179366 0.82 ALOX5 (0.42) GAAMAPTSMN1; SMN2KDM4ERAB9A

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 6 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-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
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 GAA 2781/4885MAPT 4607/4885SMN1; SMN2 3731/4885

“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.