SCHEMBL14850263

SCHEMBL14850263

CC(C)(C)c1nc(=O)c(-c2ccc(CNCCCNC(=N)N)cc2)c[nH]1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 6/20 0.36
HDAC4 P56524 6/20 0.36
HDAC1 Q13547 6/20 0.36
HDAC7 Q8WUI4 6/20 0.36
HDAC2 Q92769 6/20 0.36
HDAC10 Q969S8 6/20 0.36
HDAC11 Q96DB2 6/20 0.36
HDAC8 Q9BY41 6/20 0.36
HDAC6 Q9UBN7 6/20 0.36
HDAC9 Q9UKV0 6/20 0.36
HDAC5 Q9UQL6 6/20 0.36
PARP1 P09874 2/20 0.36
VSIR Q9H7M9 2/20 0.35
HRH4 Q9H3N8 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
ACKR3 P25106 1/20 0.31
S1PR3 Q99500 2/20 0.31
OPRM1 P35372 1/20 0.31

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
SCHEMBL21513805 0.94 PARP1 (0.35) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL21513915 0.91 PARP1 (0.36) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13547 0.87 PARP1 (0.37) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14850303 0.86 BTK (0.34)
SCHEMBL14850297 0.86 PDCD1LG2 (0.35) CD274
SCHEMBL14850266 0.85 EP300 (0.40) PARP1VSIRHRH4HRH3PDCD1
SCHEMBL14850298 0.85 PDCD1LG2 (0.35) CD274
SCHEMBL21513920 0.85 PARP1 (0.38) PARP1VSIRHRH4HRH3PDCD1
SCHEMBL21513916 0.84 PARP1 (0.36) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14850307 0.84 CD274 (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190322668-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2019-10-24 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-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-9221827-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-12-29 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-20140163049-A1 Antimicrobial Compounds and Methods of Making and Using the Same MELINTA THERAPEUTICS, INC. (US) 2014-06-12 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 HDAC3 2555/4885HDAC4 2407/4885HDAC1 2713/4885
US-20190322668-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT HDAC3 2555/4885HDAC4 2407/4885HDAC1 2713/4885
US-20140163049-A1 Antimicrobial Compounds and Methods of Making and Using the Same MPO, LPO, CAT HDAC3 2555/4885HDAC4 2407/4885HDAC1 2713/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT HDAC3 2555/4885HDAC4 2407/4885HDAC1 2713/4885

“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.