SCHEMBL10120307

SCHEMBL10120307

O=C(CNc1c(-c2ccc(N3CCCC3)cc2)nc2ccccn12)N1CCN(c2ccncc2Cl)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.43
GAA P10253 6/20 0.42
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TSHR P16473 1/20 0.42
CASP1 P29466 2/20 0.41
CASP7 P55210 2/20 0.41
IGF1R P08069 4/20 0.40
KCNH2 Q12809 3/20 0.40
MAPT P10636 3/20 0.40
TP53 P04637 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CDK2 P24941 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KCNK3 O14649 4/20 0.39
KCNK9 Q9NPC2 4/20 0.39
CASP3 P42574 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
SCHEMBL10120323 0.92 GAA (0.49) ALOX5GAAKDM4EALDH1A1HPGD
SCHEMBL15179288 0.91 ALOX5 (0.47) ALOX5GAAKDM4EALDH1A1HPGD
SCHEMBL10120425 0.90 ALOX5 (0.45) ALOX5GAAKDM4EALDH1A1HPGD
SCHEMBL14963805 0.88 GAA (0.49) ALOX5GAAKDM4EALDH1A1HPGD
SCHEMBL15179462 0.87 ALOX5 (0.46) ALOX5GAAKDM4EALDH1A1HPGD
SCHEMBL10120622 0.85 GAA (0.50) ALOX5GAAKDM4EALDH1A1HPGD
SCHEMBL10120619 0.85 ALOX5 (0.46) ALOX5GAAKDM4EALDH1A1HPGD
SCHEMBL10120305 0.84 ALDH1A1 (0.45) ALOX5GAAKDM4EALDH1A1HPGD
SCHEMBL10120187 0.84 ALOX5 (0.51) ALOX5GAAKDM4EALDH1A1HPGD
SCHEMBL10120098 0.84 ALOX5 (0.45) ALOX5GAAKDM4EALDH1A1HPGD

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 ALOX5 4416/4885GAA 2781/4885KDM4E 3155/4885

“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.