SCHEMBL354802

SCHEMBL354802

CN(Cc1nsc(NC(=O)NCc2ccc(Cl)s2)n1)C(=O)[C@H]1CCCO1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 10/20 0.37
RAB9A P51151 7/20 0.37
KDM4E B2RXH2 2/20 0.37
F2 P00734 1/20 0.36
NPC1 O15118 7/20 0.36
ALDH1A1 P00352 6/20 0.36
TP53 P04637 2/20 0.36
TSHR P16473 1/20 0.36
CLK1 P49759 1/20 0.36
KLKB1 P03952 1/20 0.36
HPGD P15428 3/20 0.34
MAPK1 P28482 2/20 0.34
LMNA P02545 2/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
GAA P10253 2/20 0.34
HSD17B10 Q99714 2/20 0.34
ALOX15 P16050 1/20 0.34
ELOVL1 Q9BW60 1/20 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
SCHEMBL353708 0.86 SMN1; SMN2 (0.42) SMN1; SMN2RAB9AKDM4EF2NPC1
SCHEMBL352906 0.83 ALOX15 (0.36) SMN1; SMN2RAB9AKDM4EF2ALDH1A1
SCHEMBL352265 0.82 ALDH1A1 (0.41) SMN1; SMN2RAB9AKDM4ENPC1ALDH1A1
SCHEMBL353615 0.82 ALDH1A1 (0.32) SMN1; SMN2RAB9AKDM4EALDH1A1KLKB1
SCHEMBL351943 0.81 ROCK2 (0.44) SMN1; SMN2RAB9AKDM4ENPC1ALDH1A1
SCHEMBL19118740 0.81 ALDH1A1 (0.33) SMN1; SMN2RAB9AKDM4EF2NPC1
SCHEMBL19119454 0.80 ALDH1A1 (0.33) SMN1; SMN2RAB9AALDH1A1KMT2A
SCHEMBL19119526 0.79 DGAT1 (0.33) SMN1; SMN2RAB9AKDM4EF2NPC1
SCHEMBL354665 0.78 ALDH1A1 (0.34) SMN1; SMN2RAB9AALDH1A1KMT2A
SCHEMBL19119312 0.78 GRM4 (0.31) SMN1; SMN2RAB9AALDH1A1ALOX15KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148380-B2 Antibacterial amide and sulfonamide substituted heterocyclic urea compounds CRESTONE, INC. (US) 2012-04-03 US claimed
US-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds CRESTONE, INC. (US) 2012-01-19 US claimed
EP-2200440-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS Crestone, Inc. (US) 2010-06-30 EP claimed
WO-2009015208-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS REPLIDYNE, INC. (US) 2009-01-29 WO claimed
US-8148380-B2 Antibacterial amide and sulfonamide substituted heterocyclic urea compounds CRESTONE, INC. (US) 2012-04-03 US disclosed
US-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds CRESTONE, INC. (US) 2012-01-19 US disclosed
EP-2200440-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS Crestone, Inc. (US) 2010-06-30 EP disclosed
WO-2009015208-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS REPLIDYNE, INC. (US) 2009-01-29 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 (1 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-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds NAAA, AADAC, RPSA SMN1; SMN2 2356/4885RAB9A 1714/4885KDM4E 1862/4885

“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.