SCHEMBL14165

SCHEMBL14165

N=C(N)NCCC[C@@H](CCCn1ccc(NC(=O)Nc2ccc(F)cc2)nc1=O)NCCCN

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.35
RIN1 Q13671 1/20 0.35
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
TP53 P04637 2/20 0.34
GBA1 P04062 1/20 0.34
P2RY12 Q9H244 1/20 0.33
SLC6A3 Q01959 1/20 0.33
LMNA P02545 3/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HTR3A P46098 1/20 0.32
KMT2A Q03164 4/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
EGLN2 Q96KS0 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
P2RY2 P41231 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
SCHEMBL13608 0.92 RECQL (0.34) ABL1RIN1KMT2AMEN1CYP1A2
SCHEMBL13870 0.91 EPHX2 (0.35) KMT2AMEN1MAPT
SCHEMBL14091 0.90 NPC1 (0.35) ABL1RIN1NPC1RAB9AKMT2A
SCHEMBL14244 0.90 HDAC3 (0.35) ABL1RIN1NPC1RAB9ATP53
SCHEMBL14200 0.89 CA1 (0.35) ABL1RIN1TP53ALDH1A1KDM4E
SCHEMBL19718353 0.89 CA1 (0.35) ABL1RIN1TP53ALDH1A1KDM4E
SCHEMBL14054 0.88 ABL1 (0.30) ABL1RIN1
SCHEMBL13665 0.88 CNR1 (0.35) NPC1RAB9ATP53LMNANPSR1
SCHEMBL14853462 0.88 MAPT (0.32) ABL1RIN1MAPT
SCHEMBL13740 0.87 MAPT (0.32) ABL1RIN1MAPT

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 ABL1 2715/4885RIN1 3250/4885NPC1 985/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT ABL1 2715/4885RIN1 3250/4885NPC1 985/4885

“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.