SCHEMBL14825

SCHEMBL14825

O=C(NC1CCNCC1)c1ccc(-c2cc3cn(-c4ccc(CNCCCF)c(F)c4)c(=O)nc3[nH]2)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 3/20 0.36
KHK P50053 4/20 0.36
KLKB1 P03952 4/20 0.36
KDR P35968 1/20 0.34
ACKR3 P25106 1/20 0.34
BMPR1B O00238 1/20 0.33
BMPR1A P36894 1/20 0.33
TGFBR1 P36897 1/20 0.33
ACVRL1 P37023 1/20 0.33
ACVR1 Q04771 1/20 0.33
FLT3 P36888 1/20 0.33
NTRK1 P04629 1/20 0.33
RIPK2 O43353 1/20 0.33
ACSS2 Q9NR19 1/20 0.33
PTK2 Q05397 1/20 0.32

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
SCHEMBL14326 0.85 KDR (0.34) KDR
SCHEMBL13856 0.85 KLKB1 (0.38) SMYD3KHKKLKB1KDRACKR3
SCHEMBL14026 0.78 CCNA2 (0.35) KHKACKR3NTRK1
SCHEMBL14512 0.77 RIPK1 (0.41) SMYD3KHKFLT3NTRK1
SCHEMBL14513 0.72 RIPK1 (0.46) SMYD3KHKFLT3
SCHEMBL14232 0.71 RIPK1 (0.39) SMYD3KHKFLT3
SCHEMBL14303 0.71 HDAC4 (0.37) PTK2
SCHEMBL14209 0.70 KIT (0.34) KDR
SCHEMBL14306 0.70 CDK2 (0.38) SMYD3KHKACKR3BMPR1BBMPR1A
SCHEMBL13865 0.70 RIPK1 (0.40) SMYD3KHKKLKB1FLT3NTRK1

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
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-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
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 SMYD3 1798/4885KHK 1995/4885KLKB1 1769/4885
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT SMYD3 1798/4885KHK 1995/4885KLKB1 1769/4885

“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.