SCHEMBL10120316

SCHEMBL10120316

O=C(CNc1c(-c2ccc(N3CCCC3)nc2)nc2cnccn12)N1CCN(c2c(Cl)cncc2Cl)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.46
GAA P10253 4/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.46
CASP1 P29466 3/20 0.46
CASP7 P55210 3/20 0.46
HSD17B10 Q99714 2/20 0.46
ALOX15 P16050 1/20 0.42
MAPT P10636 2/20 0.40
GFER P55789 1/20 0.40
KDR P35968 3/20 0.40
ETV6 P41212 3/20 0.40
ALOX5 P09917 2/20 0.40
BRD4 O60885 2/20 0.39
CNR2 P34972 2/20 0.38
RET P07949 3/20 0.38
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
RAB9A P51151 1/20 0.37
SLC2A1 P11166 1/20 0.36

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
SCHEMBL10120111 0.99 KDM4E (0.45) KDM4EGAAALDH1A1HPGDCASP1
SCHEMBL10120107 0.93 KDM4E (0.44) KDM4EGAAALDH1A1HPGDCASP1
SCHEMBL15179450 0.93 GAA (0.44) KDM4EGAAALDH1A1HPGDCASP1
SCHEMBL17772013 0.92 KDM4E (0.43) KDM4EGAAALDH1A1HPGDCASP1
SCHEMBL15179467 0.91 KDM4E (0.40) KDM4EGAAALDH1A1HPGDHSD17B10
SCHEMBL15179298 0.90 GAA (0.48) KDM4EGAAALDH1A1HPGDCASP1
SCHEMBL15179464 0.90 CNR2 (0.39) KDM4EGAAALDH1A1HPGDHSD17B10
SCHEMBL10048858 0.90 GAA (0.49) KDM4EGAAALDH1A1HPGDCASP1
SCHEMBL10120441 0.89 KDM4E (0.43) KDM4EGAAALDH1A1HPGDCASP1
SCHEMBL10120304 0.88 KDM4E (0.45) KDM4EGAAALDH1A1HPGDCASP1

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 KDM4E 3155/4885GAA 2781/4885ALDH1A1 2376/4885

“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.