SCHEMBL10120622

SCHEMBL10120622

Cc1ccccc1N1CCN(C(=O)CNc2c(-c3ccc(N4CCCC4)cc3)nc3ccccn23)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.50
MAPT P10636 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
TP53 P04637 1/20 0.50
ALDH1A1 P00352 6/20 0.49
KDM4E B2RXH2 5/20 0.49
HPGD P15428 4/20 0.49
HSD17B10 Q99714 3/20 0.49
TSHR P16473 1/20 0.49
ALOX5 P09917 1/20 0.46
HTR1A P08908 1/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
ADORA1 P30542 1/20 0.41
KCNK3 O14649 3/20 0.41
KCNK9 Q9NPC2 3/20 0.41
NPC1 O15118 2/20 0.40
PKM P14618 2/20 0.40
RAB9A P51151 2/20 0.40
TDP1 Q9NUW8 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
SCHEMBL10120421 0.94 MAPT (0.48) GAAMAPTSMN1; SMN2TP53ALDH1A1
SCHEMBL10120096 0.91 GAA (0.50) GAAMAPTSMN1; SMN2TP53ALDH1A1
SCHEMBL15179288 0.90 ALOX5 (0.47) GAAMAPTSMN1; SMN2TP53ALDH1A1
SCHEMBL10120305 0.90 ALDH1A1 (0.45) GAAMAPTSMN1; SMN2TP53ALDH1A1
SCHEMBL17772010 0.90 GAA (0.53) GAAMAPTSMN1; SMN2TP53ALDH1A1
SCHEMBL10120319 0.90 GAA (0.45) GAAMAPTSMN1; SMN2TP53ALDH1A1
SCHEMBL10120619 0.90 ALOX5 (0.46) GAAMAPTSMN1; SMN2TP53ALDH1A1
SCHEMBL10120098 0.88 ALOX5 (0.45) GAAMAPTSMN1; SMN2TP53ALDH1A1
SCHEMBL15179302 0.88 ALOX5 (0.45) GAAMAPTSMN1; SMN2TP53ALDH1A1
SCHEMBL15179389 0.87 ALOX5 (0.44) GAAMAPTSMN1; SMN2TP53ALDH1A1

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.