SCHEMBL14556

SCHEMBL14556

CNCCOc1ccccc1-c1cc2cn(-c3ccc(CN)cc3)c(=O)nc2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
HTR1B P28222 2/20 0.36
HTR1D P28221 1/20 0.36
GRIN1 Q05586 4/20 0.34
GRIN2B Q13224 4/20 0.34
SLC6A4 P31645 1/20 0.33
HRH1 P35367 1/20 0.33
EGFR P00533 1/20 0.33
CHUK O15111 1/20 0.33
INSR P06213 1/20 0.33
MAPK8 P45983 1/20 0.33
CAMKK2 Q96RR4 1/20 0.33
PDE5A O76074 1/20 0.32
HSD17B10 Q99714 2/20 0.32
ALDH1A1 P00352 2/20 0.32
KMT2A Q03164 2/20 0.32
GLA P06280 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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 0.91 HTR1B (0.35) KDM4EHTR1BGRIN1GRIN2BEGFR
SCHEMBL20082542 0.90 KDM4E (0.33) KDM4EGRIN1GRIN2BEGFRALDH1A1
SCHEMBL14728 0.89 CHUK (0.37) KDM4EGRIN1GRIN2BEGFRCHUK
SCHEMBL14404 0.88 HTR7 (0.38) KDM4EHTR1BEGFRALDH1A1SMN1; SMN2
SCHEMBL14557 0.88 EGFR (0.35) KDM4EGRIN1GRIN2BEGFRPDE5A
SCHEMBL13914 0.88 PDE5A (0.37) GRIN1GRIN2BEGFRCHUKINSR
SCHEMBL14361 0.83 ALDH1A1 (0.39) KDM4EEGFRCHUKINSRMAPK8
SCHEMBL15764870 0.74 TP53 (0.39) KDM4EEGFRCHUKINSRMAPK8
SCHEMBL12062123 0.74 EGFR (0.37) KDM4EEGFRCHUKINSRMAPK8
SCHEMBL14195 0.74 MTNR1A (0.42) EGFRALDH1A1KMT2AMEN1

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 5 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-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 KDM4E 4344/4885HTR1B 4536/4885HTR1D 4751/4885
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT KDM4E 4344/4885HTR1B 4536/4885HTR1D 4751/4885

“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.