Sugi Predict

Sugi Predict / Compounds / SCHEMBL14728

SCHEMBL14728

SCHEMBL14728

NCc1ccc(-n2cc3cc(-c4ccccc4OCCO)[nH]c3nc2=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHUK O15111 2/20 0.37
▸ INSR P06213 2/20 0.37
▸ MAPK8 P45983 2/20 0.37
▸ CAMKK2 Q96RR4 2/20 0.37
▸ PDE5A O76074 1/20 0.36
▸ EGFR P00533 3/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ GRIN1 Q05586 4/20 0.33
▸ GRIN2B Q13224 4/20 0.33
▸ ALOX5AP P20292 1/20 0.33
▸ FEN1 P39748 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ USP2 O75604 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL13914 0.95 PDE5A (0.37) CHUKINSRMAPK8CAMKK2PDE5A
SCHEMBL14148 0.92 HTR1B (0.35) CHUKINSRMAPK8CAMKK2PDE5A
SCHEMBL14556 0.89 KDM4E (0.38) CHUKINSRMAPK8CAMKK2PDE5A
SCHEMBL14557 0.88 EGFR (0.35) PDE5AEGFRKCNH2GRIN1GRIN2B
SCHEMBL20082542 0.88 KDM4E (0.33) EGFRGRIN1GRIN2BKDM4EALDH1A1
SCHEMBL14404 0.88 HTR7 (0.38) EGFRKDM4EALDH1A1SMN1; SMN2
SCHEMBL14361 0.84 ALDH1A1 (0.39) CHUKINSRMAPK8CAMKK2EGFR
SCHEMBL13916 0.84 PDE3B (0.35) EGFR
SCHEMBL14166 0.78 DRD2 (0.36) CHUK
SCHEMBL14187 0.77 IKBKB (0.35) CHUK

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2488525-B1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MELINTA THERAPEUTICS INC (US) 2018-04-25 — — EP disclosed
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 CHUK 2953/4885INSR 4144/4885MAPK8 4287/4885
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT CHUK 2953/4885INSR 4144/4885MAPK8 4287/4885

“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.