SCHEMBL13829

SCHEMBL13829

NCCCN(CCC1CC1)Cc1ccc(-c2c[nH]c(NC(=O)Nc3ccccc3OC(F)(F)F)nc2=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.36
KDR P35968 1/20 0.36
FLT3 P36888 1/20 0.36
IDH2 P48735 1/20 0.36
CXCR2 P25025 4/20 0.34
ABL1 P00519 1/20 0.34
UBE2M P61081 1/20 0.33
DCUN1D1 Q96GG9 1/20 0.33
EPHX2 P34913 1/20 0.33
CAMKK2 Q96RR4 1/20 0.33
NAMPT P43490 1/20 0.32
IGF1R P08069 1/20 0.32
DGAT1 O75907 1/20 0.32
P2RY1 P47900 1/20 0.31
DAGLA Q9Y4D2 1/20 0.31
BCHE P06276 1/20 0.31
PIM1 P11309 2/20 0.31
PIM2 Q9P1W9 2/20 0.31
RORC P51449 1/20 0.30
LPAR1 Q92633 1/20 0.30

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
SCHEMBL13750 0.94 KIT (0.36) KITKDRFLT3IDH2CXCR2
SCHEMBL13589 0.94 KDR (0.40) KITKDRFLT3IDH2CXCR2
SCHEMBL13975 0.92 KDR (0.38) KITKDRFLT3IDH2CXCR2
SCHEMBL17486575 0.92 IGF1R (0.33) IGF1RP2RY1BCHELPAR1LPAR5
SCHEMBL13963 0.91 KDR (0.38) KITKDRFLT3IDH2CXCR2
SCHEMBL14305 0.91 IDH2 (0.38) KITKDRFLT3IDH2ABL1
SCHEMBL14850207 0.91 NAMPT (0.39) KITKDRFLT3IDH2ABL1
SCHEMBL14850201 0.91 IDH2 (0.38) KITKDRFLT3IDH2ABL1
SCHEMBL14171 0.90 NAMPT (0.38) KITKDRFLT3IDH2ABL1
SCHEMBL14850219 0.89 KIT (0.36) KITKDRFLT3IDH2CXCR2

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 8 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-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 KIT 3949/4885KDR 4838/4885FLT3 3005/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT KIT 3949/4885KDR 4838/4885FLT3 3005/4885

“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.