Sugi Predict

Sugi Predict / Compounds / SCHEMBL14361

SCHEMBL14361

SCHEMBL14361

NCc1ccc(-n2cc3cc(-c4ccccc4OCCCN4CCNCC4)[nH]c3nc2=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ EPHX2 P34913 3/20 0.37
▸ CD274 Q9NZQ7 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ EGFR P00533 1/20 0.35
▸ VSIR Q9H7M9 1/20 0.35
▸ MRE11 P49959 1/20 0.35
▸ ITGB3 P05106 1/20 0.34
▸ ITGA2B P08514 1/20 0.34
▸ CHUK O15111 1/20 0.34
▸ INSR P06213 1/20 0.34
▸ MAPK8 P45983 1/20 0.34
▸ CAMKK2 Q96RR4 1/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ L3MBTL1 Q9Y468 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
SCHEMBL14148 0.88 HTR1B (0.35) ALDH1A1KDM4EKMT2AEGFRCHUK
SCHEMBL14253 0.85 ROCK2 (0.40) ALDH1A1KDM4EEPHX2ITGB3ITGA2B
SCHEMBL13958 0.85 EGFR (0.39) ALDH1A1KDM4ETDP1EPHX2MEN1
SCHEMBL14728 0.84 CHUK (0.37) ALDH1A1KDM4EMEN1KMT2AEGFR
SCHEMBL20082542 0.84 KDM4E (0.33) ALDH1A1KDM4EKMT2AEGFRHTT
SCHEMBL14556 0.83 KDM4E (0.38) ALDH1A1KDM4EMEN1KMT2AEGFR
SCHEMBL14557 0.82 EGFR (0.35) ALDH1A1KDM4EMEN1KMT2AEGFR
SCHEMBL14404 0.82 HTR7 (0.38) ALDH1A1KDM4EEGFRKDR
SCHEMBL14256 0.79 SLC6A4 (0.40) CHUK
SCHEMBL14517 0.77 CHRM3 (0.41) —

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
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2016-02-04 — — US disclosed
US-9193731-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-11-24 — — US disclosed
US-9193731-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-11-24 — — US disclosed
US-20120220566-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2012-08-30 — — US disclosed
US-20120220566-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2012-08-30 — — US disclosed
WO-2011047319-A2 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2011-04-21 — — 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 (2 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-20120220566-A1 Antimicrobial Compounds and Methods of Making and Using the Same MPO, LPO, CAT ALDH1A1 1117/4885KDM4E 4344/4885TDP1 2438/4885
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT ALDH1A1 1117/4885KDM4E 4344/4885TDP1 2438/4885

“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.