SCHEMBL13723

SCHEMBL13723

N=C(N)NCCC[C@@H](CCCn1ccc(NC(=O)c2ccc(Cl)cc2)nc1=O)NCCCN

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
RXFP1 Q9HBX9 1/20 0.34
CYP1A2 P05177 1/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34
MAOB P27338 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
MAPT P10636 1/20 0.34
MEN1 O00255 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
KMT2A Q03164 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
GFER P55789 1/20 0.34
MAPK1 P28482 1/20 0.34
F10 P00742 2/20 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
SCHEMBL14850163 0.93 LMNA (0.37) LMNARXFP1CYP1A2TSHRNFKB1
SCHEMBL14226 0.90 FLT3 (0.33) LMNAMAPTKMT2AF10F2
SCHEMBL14283 0.90 NPC1 (0.37) TSHRNFKB1SMN1; SMN2MAPTMEN1
SCHEMBL13746 0.90 TAS1R3 (0.32) F10F2PRSS1PRSS2PRSS3
SCHEMBL13740 0.89 MAPT (0.32) MAPT
SCHEMBL17485857 0.88 HDAC3 (0.39) TSHRMAPTMEN1KMT2ANPC1
SCHEMBL13633 0.88 FLT3 (0.38) LMNAMAPTNPC1ALDH1A1RAB9A
SCHEMBL13908 0.88 HDAC3 (0.39) TSHRMAPTMEN1KMT2ANPC1
SCHEMBL14850167 0.87 IRAK4 (0.31)
SCHEMBL14853461 0.87 MAPT (0.41) TSHRMAPTHTT

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
US-9845297-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2017-12-19 US disclosed
US-9845297-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2017-12-19 US disclosed
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2016-02-04 US disclosed
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2016-02-04 US disclosed
WO-2011047323-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 (1 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-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT LMNA 2222/4885RXFP1 3826/4885CYP1A2 1366/4885

“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.