Sugi Predict

Sugi Predict / Compounds / SCHEMBL10120312

SCHEMBL10120312

SCHEMBL10120312

O=C(CNc1c(-c2ccc(N3CCCC3)cc2)nc2ccccn12)N1CCC(c2cccc3ccccc23)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.46
▸ GAA P10253 3/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ HPGD P15428 3/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.41
▸ TP53 P04637 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ RAB9A P51151 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ MMP2 P08253 1/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ MMP13 P45452 1/20 0.39
▸ NTRK1 P04629 2/20 0.38
▸ SALL4 Q9UJQ4 3/20 0.38
▸ ADORA1 P30542 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
SCHEMBL10120311 0.91 GAA (0.47) ALOX5GAAKDM4EALDH1A1HPGD
SCHEMBL10120310 0.89 GAA (0.49) ALOX5GAAKDM4EALDH1A1HPGD
SCHEMBL10120064 0.87 ALDH1A1 (0.46) ALOX5GAAKDM4EALDH1A1HPGD
SCHEMBL10120096 0.81 GAA (0.50) ALOX5GAAKDM4EALDH1A1HPGD
SCHEMBL15179462 0.81 ALOX5 (0.46) ALOX5GAAKDM4EALDH1A1HPGD
SCHEMBL15179288 0.80 ALOX5 (0.47) ALOX5GAAKDM4EALDH1A1HPGD
SCHEMBL10120619 0.79 ALOX5 (0.46) ALOX5GAAKDM4EALDH1A1HPGD
SCHEMBL10120622 0.79 GAA (0.50) ALOX5GAAKDM4EALDH1A1HPGD
SCHEMBL10120421 0.79 MAPT (0.48) ALOX5GAAKDM4EALDH1A1HPGD
SCHEMBL10120190 0.78 GAA (0.48) GAAKDM4EALDH1A1HPGDHSD17B10

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.