SCHEMBL13677

SCHEMBL13677

Cc1cc(CNCCCN)ccc1-c1c[nH]c(NC(=O)Nc2ccccc2OC(F)(F)F)nc1=O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.37
RORC P51449 5/20 0.36
IDH2 P48735 1/20 0.36
NAMPT P43490 1/20 0.35
KIT P10721 1/20 0.35
KDR P35968 1/20 0.35
FLT3 P36888 1/20 0.35
ITGB1 P05556 2/20 0.35
ITGA4 P13612 2/20 0.35
IGF1R P08069 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
P2RY1 P47900 2/20 0.34
ABL1 P00519 1/20 0.34
MC4R P32245 1/20 0.33
MC5R P33032 1/20 0.33
MC3R P41968 1/20 0.33

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
SCHEMBL13774 0.92 IDH2 (0.36) IDH1RORCIDH2NAMPTKIT
SCHEMBL17486587 0.90 IGF1R (0.36) IGF1RMAPTSMN1; SMN2MC4RMC5R
SCHEMBL13749 0.90 KDR (0.42) RORCIDH2NAMPTKITKDR
SCHEMBL17354366 0.88 MC4R (0.38) KDRITGB1ITGA4MAPTMC4R
SCHEMBL13687 0.85 IDH2 (0.39) IDH1RORCIDH2NAMPTKIT
SCHEMBL14147 0.84 KDR (0.38) IDH1RORCIDH2NAMPTKIT
SCHEMBL14850252 0.84 KDR (0.39) RORCIDH2NAMPTKITKDR
SCHEMBL17485881 0.84 KIT (0.40) IDH1RORCIDH2NAMPTKIT
SCHEMBL17354368 0.84 MC4R (0.37) KDRSMN1; SMN2MC4RMC5RMC3R
SCHEMBL14850192 0.84 KDR (0.41) IDH1RORCIDH2NAMPTKIT

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 IDH1 4698/4885RORC 2712/4885IDH2 3459/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT IDH1 4698/4885RORC 2712/4885IDH2 3459/4885

“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.