SCHEMBL11920

SCHEMBL11920

NCCCNCc1ccc(-c2cn3c(=O)cc(-c4ccccc4F)[nH]c3nc2=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MC4R P32245 2/20 0.37
MC5R P33032 2/20 0.37
MC3R P41968 1/20 0.37
ACHE P22303 3/20 0.35
DAO P14920 1/20 0.34
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
VSIR Q9H7M9 2/20 0.33
GRK5 P34947 1/20 0.33
CDC7 O00311 1/20 0.32
SCN8A Q9UQD0 1/20 0.32
HDAC1 Q13547 1/20 0.32
FFAR1 O14842 1/20 0.32

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
SCHEMBL11960637 0.90 PDCD1 (0.37) MC4RMC5RMC3RPDCD1CD274
SCHEMBL11208 0.90 MC4R (0.33) MC4RMC5RMC3R
SCHEMBL20124123 0.88 MC4R (0.32) MC4RMC5RMC3R
SCHEMBL10841 0.88 FFAR1 (0.36) MC4RMC5RMC3RACHEFFAR1
SCHEMBL14613 0.87 MC4R (0.34) MC4RMC5RMC3R
SCHEMBL19573483 0.85 MC4R (0.34) MC4RMC5RMC3R
SCHEMBL11960642 0.85 HDAC1 (0.34) MC4RMC5RMC3RSCN8AHDAC1
SCHEMBL11960641 0.84 MARS1 (0.33) MC4RMC5RMC3R
SCHEMBL16687699 0.83 MC4R (0.33) MC4RMC5RMC3RADORA2A
SCHEMBL11960639 0.83 CHRM2 (0.38) MC4RMC5RMC3RSCN8AHDAC1

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-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
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 MC4R 3103/4885MC5R 3126/4885MC3R 3248/4885
US-10259825-B2 Antimicrobial compounds and methods of making and using the same LPO, MPO, CAT MC4R 3103/4885MC5R 3126/4885MC3R 3248/4885
US-20120202792-A1 Antimicrobial Compounds and Methods of Making and Using the Same LPO, MPO, CAT MC4R 3103/4885MC5R 3126/4885MC3R 3248/4885
US-20170320892-A1 Antimicrobial Compounds And Methods Of Making And Using The Same LPO, MPO, CAT MC4R 3103/4885MC5R 3126/4885MC3R 3248/4885

“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.