SCHEMBL13908

SCHEMBL13908

CN1CCN(c2ccc(C(=O)Nc3ccn(CCCC(CCCNC(=N)N)NCCCN)c(=O)n3)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 10/20 0.39
HDAC8 Q9BY41 9/20 0.39
HDAC1 Q13547 1/20 0.38
FLT3 P36888 3/20 0.38
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KDR P35968 1/20 0.35
TNIK Q9UKE5 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL17485857 1.00 HDAC3 (0.39) HDAC3HDAC8HDAC1FLT3NPC1
SCHEMBL13633 0.93 FLT3 (0.38) HDAC3HDAC8HDAC1FLT3NPC1
SCHEMBL14850184 0.91 DRD2 (0.33) FLT3
SCHEMBL13753 0.91 JAK3 (0.35) FLT3NPC1RAB9AMAPTKDR
SCHEMBL13723 0.88 LMNA (0.36) NPC1RAB9AMAPTHPGDTSHR
SCHEMBL13746 0.86 TAS1R3 (0.32)
SCHEMBL14283 0.86 NPC1 (0.37) HDAC3HDAC1FLT3NPC1RAB9A
SCHEMBL14226 0.86 FLT3 (0.33) HDAC3HDAC8HDAC1FLT3MAPT
SCHEMBL19719332 0.84 FLT3 (0.32) FLT3
SCHEMBL13665 0.84 CNR1 (0.35) FLT3NPC1RAB9AMAPTHSD17B10

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 7 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-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 (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-20130090326-A1 Antimicrobial Compounds and Methods of Making and Using the Same MPO, LPO, CAT HDAC3 2555/4885HDAC8 2935/4885HDAC1 2713/4885

“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.