SCHEMBL13914

SCHEMBL13914

NCc1ccc(-n2cc3cc(-c4ccccc4OCCCO)[nH]c3nc2=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 3/20 0.37
CHUK O15111 2/20 0.35
INSR P06213 2/20 0.35
MAPK8 P45983 2/20 0.35
CAMKK2 Q96RR4 2/20 0.35
EGFR P00533 5/20 0.34
KCNH2 Q12809 1/20 0.34
AURKA O14965 1/20 0.34
KDR P35968 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
IDO1 P14902 1/20 0.32
DGAT1 O75907 1/20 0.32
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
CDK2 P24941 1/20 0.31

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
SCHEMBL14728 0.95 CHUK (0.37) PDE5ACHUKINSRMAPK8CAMKK2
SCHEMBL14148 0.93 HTR1B (0.35) PDE5ACHUKINSRMAPK8CAMKK2
SCHEMBL20082542 0.89 KDM4E (0.33) EGFRKMT2AIDO1GRIN1GRIN2B
SCHEMBL14556 0.88 KDM4E (0.38) PDE5ACHUKINSRMAPK8CAMKK2
SCHEMBL14404 0.87 HTR7 (0.38) EGFRKDR
SCHEMBL14557 0.87 EGFR (0.35) PDE5AEGFRKCNH2MEN1KMT2A
SCHEMBL14361 0.85 ALDH1A1 (0.39) CHUKINSRMAPK8CAMKK2EGFR
SCHEMBL12062075 0.80 PDE2A (0.35) EGFRAURKAKDR
SCHEMBL13916 0.79 PDE3B (0.35) EGFR
SCHEMBL14187 0.76 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 PDE5A 1900/4885CHUK 2953/4885INSR 4144/4885
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT PDE5A 1900/4885CHUK 2953/4885INSR 4144/4885

“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.