SCHEMBL11211

SCHEMBL11211

NCCCNCc1ccc(-c2cn3c(=O)cc(Cc4ccc(C(F)(F)F)cc4)[nH]c3nc2=O)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.33
BRD4 O60885 1/20 0.33
EP300 Q09472 1/20 0.32
S1PR4 O95977 1/20 0.32
S1PR5 Q9H228 1/20 0.32
SCN8A Q9UQD0 1/20 0.32
HDAC2 Q92769 1/20 0.31
MC4R P32245 1/20 0.31
MC5R P33032 1/20 0.31
MC3R P41968 1/20 0.31
PDE2A O00408 1/20 0.31
MKNK1 Q9BUB5 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31
KDM5A P29375 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
P2RY14 Q15391 3/20 0.31
BACE1 P56817 1/20 0.31
PARP1 P09874 2/20 0.31
OPRD1 P41143 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
SCHEMBL11960642 0.90 HDAC1 (0.34) HDAC1BRD4EP300S1PR4S1PR5
SCHEMBL14618 0.88 MC4R (0.32) MC4RMC5RMC3RKDM5AKDM5B
SCHEMBL14612 0.85 MARS1 (0.34) MC4RMC5RMC3RMKNK1MKNK2
SCHEMBL14615 0.85 MC4R (0.32) MC4RMC5RMC3RPARP1
SCHEMBL20124108 0.85 MC4R (0.35) EP300MC4RMC5RMC3RPARP1
SCHEMBL11960643 0.83 MC4R (0.32) BRD4MC4RMC5RMC3R
SCHEMBL14617 0.83 DPP7 (0.35) HDAC1HDAC2
SCHEMBL11981514 0.83 MC4R (0.32) MC4RMC5RMC3R
SCHEMBL14614 0.81 CHRM2 (0.33) MC4RMC5RMC3R
SCHEMBL17129977 0.81 MC4R (0.33) MC4RMC5RMC3R

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 HDAC1 2707/4885BRD4 3077/4885EP300 2110/4885
US-10259825-B2 Antimicrobial compounds and methods of making and using the same LPO, MPO, CAT HDAC1 2707/4885BRD4 3077/4885EP300 2110/4885
US-20120202792-A1 Antimicrobial Compounds and Methods of Making and Using the Same LPO, MPO, CAT HDAC1 2707/4885BRD4 3077/4885EP300 2110/4885
US-20170320892-A1 Antimicrobial Compounds And Methods Of Making And Using The Same LPO, MPO, CAT HDAC1 2707/4885BRD4 3077/4885EP300 2110/4885

“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.