SCHEMBL13954

SCHEMBL13954

NCCCNCc1ccc(-n2cc3cc[nH]c3nc2=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MC4R P32245 2/20 0.39
MC5R P33032 2/20 0.39
MC3R P41968 1/20 0.39
KAT2B Q92831 1/20 0.36
PARP1 P09874 1/20 0.33
P2RX7 Q99572 2/20 0.32
IL6 P05231 2/20 0.32
TLR7 Q9NYK1 2/20 0.32
HRH4 Q9H3N8 2/20 0.32
HRH3 Q9Y5N1 2/20 0.32
MC1R Q01726 1/20 0.32
ABL1 P00519 1/20 0.30
EGFR P00533 1/20 0.30
CDK1 P06493 1/20 0.30
SRC P12931 1/20 0.30
CSK P41240 1/20 0.30
ABL2 P42684 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
SCHEMBL14532 0.85 PARP1 (0.32) PARP1
SCHEMBL17946565 0.85 P2RX7 (0.33) P2RX7
SCHEMBL21367598 0.83 PARP1 (0.38) PARP1P2RX7
SCHEMBL17947197 0.83 ALDH1A1 (0.36) PARP1ABL1EGFRCDK1SRC
SCHEMBL14019 0.82 MPO (0.39) P2RX7
SCHEMBL20082452 0.82 PARP1 (0.33) PARP1ABL1EGFRCDK1SRC
SCHEMBL17947190 0.82 P2RX7 (0.34) P2RX7
SCHEMBL15787201 0.81 MC4R (0.39) MC4RMC5RMC3RKAT2BPARP1
SCHEMBL17484492 0.81 MC4R (0.39) MC4RMC5RMC3RKAT2BPARP1
SCHEMBL14179 0.81 P2RX7 (0.32) P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2016-02-04 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-9193731-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-11-24 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-20120220566-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2012-08-30 US disclosed
WO-2011047319-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 (2 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-20120220566-A1 Antimicrobial Compounds and Methods of Making and Using the Same MPO, LPO, CAT MC4R 2989/4885MC5R 3036/4885MC3R 3163/4885
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT MC4R 2989/4885MC5R 3036/4885MC3R 3163/4885

“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.