SCHEMBL11960433

SCHEMBL11960433

CC(C)(C)c1ccc(CNCC(=O)CNC(=N)N)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 12/20 0.51
NR1H4 Q96RI1 10/20 0.51
ANPEP P15144 1/20 0.46
ERAP2 Q6P179 1/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
HDAC3 O15379 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
RAB9A P51151 2/20 0.43
LMNA P02545 1/20 0.43
NPC1 O15118 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CA12 O43570 1/20 0.43
CA7 P43166 1/20 0.43

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
SCHEMBL12075820 0.88 EPHX2 (0.39) EPHX2NR1H4ANPEPERAP2CA1
SCHEMBL20082431 0.84 NOS3 (0.41) CA1CA2CYP2C19LMNA
SCHEMBL11981648 0.84 LMNA (0.41) CA1CA2MEN1KMT2ALMNA
SCHEMBL14853359 0.84 SMN1; SMN2 (0.44) CA1CA2HDAC3HDAC8HDAC6
SCHEMBL20124232 0.83 EPHX2 (0.45) EPHX2NR1H4ANPEPERAP2CA1
SCHEMBL11954 0.80 EPHX2 (0.59) EPHX2NR1H4CA1CA2HDAC3
SCHEMBL11960431 0.77 HDAC3 (0.56) EPHX2NR1H4ANPEPERAP2CA1
SCHEMBL15125586 0.76 EPHX2 (0.55) EPHX2NR1H4CA1CA2HDAC3
SCHEMBL11960443 0.75 EPHX2 (0.55) EPHX2NR1H4CA1CA2HDAC3
SCHEMBL11960442 0.75 ANPEP (0.52) EPHX2NR1H4ANPEPERAP2CA1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10259825-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2019-04-16 US disclosed
EP-2488532-B1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MELINTA THERAPEUTICS INC (US) 2018-05-09 EP disclosed
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-20170320892-A1 Antimicrobial Compounds And Methods Of Making And Using The Same SILICON VALLEY BANK 2017-11-09 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-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
US-20120220566-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2012-08-30 US disclosed
US-20120202792-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2012-08-09 US disclosed
US-20120202792-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2012-08-09 US 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 (8 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 EPHX2 3041/4885NR1H4 3843/4885ANPEP 653/4885
US-20150274752-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME LPO, MPO, CAT EPHX2 3007/4885NR1H4 3803/4885ANPEP 714/4885
US-10259825-B2 Antimicrobial compounds and methods of making and using the same LPO, MPO, CAT EPHX2 3007/4885NR1H4 3803/4885ANPEP 714/4885
US-20120220566-A1 Antimicrobial Compounds and Methods of Making and Using the Same MPO, LPO, CAT EPHX2 3041/4885NR1H4 3843/4885ANPEP 653/4885
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT EPHX2 3041/4885NR1H4 3843/4885ANPEP 653/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT EPHX2 3041/4885NR1H4 3843/4885ANPEP 653/4885
US-20120202792-A1 Antimicrobial Compounds and Methods of Making and Using the Same LPO, MPO, CAT EPHX2 3007/4885NR1H4 3803/4885ANPEP 714/4885
US-20170320892-A1 Antimicrobial Compounds And Methods Of Making And Using The Same LPO, MPO, CAT EPHX2 3007/4885NR1H4 3803/4885ANPEP 714/4885

“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.