SCHEMBL14404

SCHEMBL14404

CN(C)CCOc1ccccc1-c1cc2cn(-c3ccc(CN)cc3)c(=O)nc2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
MCHR1 Q99705 1/20 0.36
HTR1B P28222 1/20 0.35
KDR P35968 2/20 0.35
NOS3 P29474 2/20 0.35
NOS1 P29475 2/20 0.35
TNKS O95271 1/20 0.35
SLC40A1 Q9NP59 1/20 0.35
EGFR P00533 2/20 0.34
NOS2 P35228 1/20 0.34
KIT P10721 1/20 0.33
FLT3 P36888 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 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
SCHEMBL14148 0.90 HTR1B (0.35) KDM4EALDH1A1SMN1; SMN2HTR1BEGFR
SCHEMBL14556 0.88 KDM4E (0.38) KDM4EALDH1A1SMN1; SMN2HTR1BEGFR
SCHEMBL14728 0.88 CHUK (0.37) KDM4EALDH1A1SMN1; SMN2EGFR
SCHEMBL14557 0.88 EGFR (0.35) KDM4EALDH1A1SMN1; SMN2EGFR
SCHEMBL13914 0.87 PDE5A (0.37) KDREGFR
SCHEMBL20082542 0.86 KDM4E (0.33) KDM4EALDH1A1SMN1; SMN2EGFR
SCHEMBL12062123 0.83 EGFR (0.37) HTR7KDM4EALDH1A1SMN1; SMN2MCHR1
SCHEMBL14361 0.82 ALDH1A1 (0.39) KDM4EALDH1A1KDREGFR
SCHEMBL14293 0.80 CHEK2 (0.42) KDM4EALDH1A1SMN1; SMN2KEAP1NFE2L2
SCHEMBL15764870 0.74 TP53 (0.39) KDM4EALDH1A1SMN1; SMN2EGFRKIT

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 HTR7 4447/4885KDM4E 4344/4885ALDH1A1 1117/4885
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT HTR7 4447/4885KDM4E 4344/4885ALDH1A1 1117/4885

“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.