SCHEMBL14035

SCHEMBL14035

NCCCCN1CC(n2cc3c(nc2=O)[nH]c2ccccc23)C1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.39
CA5A P35218 1/20 0.39
SSTR4 P31391 2/20 0.36
SSTR5 P35346 2/20 0.36
SSTR2 P30874 1/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HTR7 P34969 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PARP1 P09874 1/20 0.33
CHEK1 O14757 3/20 0.33
CHEK2 O96017 3/20 0.33

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
SCHEMBL17484485 0.92 SLC6A4 (0.43) SLC6A4CA5AMEN1KMT2APARP1
SCHEMBL12061561 0.92 SLC6A4 (0.43) SLC6A4CA5AMEN1KMT2APARP1
SCHEMBL14077 0.90 SLC6A4 (0.47) SLC6A4MEN1KMT2APARP1
SCHEMBL12062415 0.82 CHRM1 (0.48) KDM4EALDH1A1HSD17B10
SCHEMBL14551 0.80 ADRA1D (0.52) ALDH1A1HTR7
SCHEMBL13698 0.79 DRD2 (0.37) SLC6A4KDM4EMAPK1ALDH1A1HSD17B10
SCHEMBL13799 0.77 CA5A (0.41) CA5AKDM4EALDH1A1HSD17B10MEN1
SCHEMBL14463 0.74 DRD2 (0.44)
SCHEMBL13800 0.73 HTR6 (0.43) CA5AKDM4EALDH1A1HSD17B10
SCHEMBL13395617 0.70 CA5A (0.50) CA5AKDM4EALDH1A1HSD17B10MEN1

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 SLC6A4 4116/4885CA5A 1655/4885SSTR4 4515/4885
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT SLC6A4 4116/4885CA5A 1655/4885SSTR4 4515/4885

“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.