SCHEMBL11491

SCHEMBL11491

Cc1ccc(CNCC(CF)CNC(=N)N)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 4/20 0.40
NPC1 O15118 2/20 0.40
IDO1 P14902 2/20 0.37
CHRM2 P08172 1/20 0.37
KMT2A Q03164 5/20 0.36
CA12 O43570 3/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA9 Q16790 2/20 0.36
LMNA P02545 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 3/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
HSP90AA1 P07900 1/20 0.36

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
SCHEMBL11981601 0.90 LMNA (0.42) IDO1KMT2ACA12CA1CA2
SCHEMBL11981632 0.85 ANPEP (0.49) DNM1CA12CA1CA2CA7
SCHEMBL11729 0.83 NPC1 (0.42) DNM1NPC1IDO1CHRM2KMT2A
SCHEMBL14083 0.81 CHRM2 (0.44) DNM1NPC1IDO1CHRM2KMT2A
SCHEMBL14853353 0.81 DNM1 (0.49) DNM1NPC1IDO1CHRM2KMT2A
SCHEMBL12288 0.81 DNM1 (0.40) DNM1NPC1IDO1CHRM2KMT2A
SCHEMBL12094 0.81 NPC1 (0.40) DNM1NPC1IDO1CHRM2KMT2A
SCHEMBL14852988 0.80 GAA (0.40) DNM1NPC1IDO1CHRM2KMT2A
SCHEMBL4100287 0.75 IDO1 (0.52) NPC1IDO1KMT2ALMNAMEN1
Hydrochloric Acid SCHEMBL19520755 0.73 IDO1 (0.53) NPC1IDO1KMT2ALMNAMEN1

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 13 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-20170320892-A1 Antimicrobial Compounds And Methods Of Making And Using The Same SILICON VALLEY BANK 2017-11-09 US disclosed
US-9573962-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2017-02-21 US disclosed
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 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-9193731-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-11-24 US disclosed
US-20150274752-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2015-10-01 US disclosed
US-9023843-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-05-05 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
WO-2011047320-A2 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2011-04-21 WO 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 (5 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 DNM1 217/4885NPC1 985/4885IDO1 1215/4885
US-20150274752-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME LPO, MPO, CAT DNM1 200/4885NPC1 1007/4885IDO1 1276/4885
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT DNM1 217/4885NPC1 985/4885IDO1 1215/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT DNM1 217/4885NPC1 985/4885IDO1 1215/4885
US-20170320892-A1 Antimicrobial Compounds And Methods Of Making And Using The Same LPO, MPO, CAT DNM1 200/4885NPC1 1007/4885IDO1 1276/4885

“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.