Sugi Predict

Sugi Predict / Compounds / SCHEMBL10120321

SCHEMBL10120321

SCHEMBL10120321

CC(C)N1CCc2cc(-c3nc4cnccn4c3NCC(=O)N3CCN(c4c(Cl)cncc4Cl)CC3)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 5/20 0.43
▸ KDM4E B2RXH2 4/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ HPGD P15428 3/20 0.43
▸ CASP1 P29466 2/20 0.43
▸ CASP7 P55210 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ ALOX15 P16050 1/20 0.40
▸ BRD4 O60885 2/20 0.37
▸ ATM Q13315 7/20 0.35
▸ APAF1 O14727 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ SLC2A1 P11166 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ GFER P55789 1/20 0.35
▸ ALOX5 P09917 1/20 0.34

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
SCHEMBL10120306 0.96 GAA (0.42) GAAKDM4EALDH1A1HPGDCASP1
SCHEMBL15179469 0.91 KDM4E (0.38) GAAKDM4EALDH1A1HPGDCASP1
SCHEMBL15179285 0.89 GAA (0.46) GAAKDM4EALDH1A1HPGDCASP1
SCHEMBL15179381 0.88 GAA (0.45) GAAKDM4EALDH1A1HPGDCASP1
SCHEMBL10120102 0.88 GAA (0.44) GAAKDM4EALDH1A1HPGDCASP1
SCHEMBL15179483 0.87 KDM4E (0.37) GAAKDM4EALDH1A1HPGDCASP1
SCHEMBL10120318 0.86 GAA (0.45) GAAKDM4EALDH1A1HPGDCASP1
SCHEMBL10120627 0.85 GAA (0.45) GAAKDM4EALDH1A1HPGDCASP1
SCHEMBL10120433 0.85 ALDH1A1 (0.43) GAAKDM4EALDH1A1HPGDCASP1
SCHEMBL10120101 0.84 KDM4E (0.44) GAAKDM4EALDH1A1HPGDCASP1

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 2781/4885KDM4E 3155/4885ALDH1A1 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.