SCHEMBL14000

SCHEMBL14000

CCOc1ccc(NC(=O)Nc2nc(=O)c(-c3ccc(CNCCCN)c(F)c3)c[nH]2)c([N+](=O)[O-])c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.43
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
PKM P14618 3/20 0.40
RAB9A P51151 7/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
NPC1 O15118 5/20 0.39
MAPT P10636 5/20 0.39
MAPK1 P28482 2/20 0.39
POLB P06746 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
MCOLN3 Q8TDD5 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
GAA P10253 2/20 0.37

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
SCHEMBL13801 0.84 MAPT (0.43) KMT2AMEN1RAB9ASMN1; SMN2NPC1
SCHEMBL13710 0.84 MEN1 (0.42) KMT2AMEN1SMN1; SMN2MAPTPOLB
SCHEMBL14001 0.84 KMT2A (0.41) KMT2AMEN1PKMRAB9ASMN1; SMN2
SCHEMBL13586 0.83 MAPT (0.44) TP53KMT2AMEN1PKMRAB9A
SCHEMBL14850226 0.82 LMNA (0.43) KMT2AMEN1SMN1; SMN2MAPTMAPK1
SCHEMBL17354289 0.81 KDR (0.41)
SCHEMBL13620 0.81 CA12 (0.40) KMT2AMEN1RAB9ASMN1; SMN2NPC1
SCHEMBL13768 0.81 CA12 (0.34) KMT2AMEN1
SCHEMBL17354321 0.81 KDR (0.37) RAB9ASMN1; SMN2MAPTPOLBALDH1A1
SCHEMBL17354354 0.81 LIMK1 (0.34)

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 9 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
US-9216979-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-12-22 US disclosed
US-9216979-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-12-22 US disclosed
US-20130090326-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2013-04-11 US disclosed
US-20130090326-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2013-04-11 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 (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-20130090326-A1 Antimicrobial Compounds and Methods of Making and Using the Same MPO, LPO, CAT TP53 3023/4885KMT2A 4518/4885MEN1 3118/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT TP53 3023/4885KMT2A 4518/4885MEN1 3118/4885

“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.