SCHEMBL14614

SCHEMBL14614

NCCCNCc1ccc(-c2cn3c(=O)cc(Cc4cccc([N+](=O)[O-])c4)[nH]c3nc2=O)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.33
PGR P06401 2/20 0.32
SSTR1 P30872 1/20 0.32
SSTR2 P30874 1/20 0.32
SSTR3 P32745 1/20 0.32
SSTR5 P35346 1/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ACHE P22303 1/20 0.32
ALK Q9UM73 1/20 0.31
MC4R P32245 1/20 0.31
MC5R P33032 1/20 0.31
MC3R P41968 1/20 0.31
ADORA2A P29274 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CTSB P07858 1/20 0.30
POLB P06746 1/20 0.30
CYP19A1 P11511 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
SCHEMBL11981514 0.86 MC4R (0.32) MC4RMC5RMC3R
SCHEMBL14618 0.84 MC4R (0.32) MC4RMC5RMC3R
SCHEMBL14612 0.84 MARS1 (0.34) MC4RMC5RMC3R
SCHEMBL20124108 0.81 MC4R (0.35) MC4RMC5RMC3RSMN1; SMN2
SCHEMBL11211 0.81 HDAC1 (0.33) MC4RMC5RMC3R
SCHEMBL14617 0.81 DPP7 (0.35) MAPTMEN1KMT2A
SCHEMBL14615 0.80 MC4R (0.32) MC4RMC5RMC3R
SCHEMBL17129977 0.78 MC4R (0.33) KMT2AMC4RMC5RMC3R
SCHEMBL11960643 0.77 MC4R (0.32) MC4RMC5RMC3R
SCHEMBL11920 0.75 MC4R (0.37) ACHEMC4RMC5RMC3RADORA2A

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 12 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-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-20150274752-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2015-10-01 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-9023843-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-05-05 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
WO-2011047320-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 (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-20150274752-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME LPO, MPO, CAT CHRM2 4814/4885PGR 4250/4885SSTR1 4733/4885
US-10259825-B2 Antimicrobial compounds and methods of making and using the same LPO, MPO, CAT CHRM2 4814/4885PGR 4250/4885SSTR1 4733/4885
US-20120202792-A1 Antimicrobial Compounds and Methods of Making and Using the Same LPO, MPO, CAT CHRM2 4814/4885PGR 4250/4885SSTR1 4733/4885
US-20170320892-A1 Antimicrobial Compounds And Methods Of Making And Using The Same LPO, MPO, CAT CHRM2 4814/4885PGR 4250/4885SSTR1 4733/4885

“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.