SCHEMBL353276

SCHEMBL353276

CO[C@H](C)C(=O)N(C)Cc1nsc(NC(=O)NCc2ccc(Cl)s2)n1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.36
ALDH1A1 P00352 8/20 0.35
HTT P42858 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
RAB9A P51151 1/20 0.35
TSHR P16473 1/20 0.32
MEN1 O00255 7/20 0.32
KDM4E B2RXH2 6/20 0.32
MAPT P10636 3/20 0.32
HPGD P15428 2/20 0.32
LMNA P02545 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
USP2 O75604 1/20 0.32
F2 P00734 1/20 0.31
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KLKB1 P03952 1/20 0.31
KLK1 P06870 1/20 0.31

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
SCHEMBL353277 1.00 KMT2A (0.36) KMT2AALDH1A1HTTSMN1; SMN2RAB9A
SCHEMBL353808 0.79 TRPA1 (0.34) KMT2AALDH1A1HTTSMN1; SMN2RAB9A
SCHEMBL19118760 0.79 NPSR1 (0.34) KMT2AALDH1A1HTTSMN1; SMN2RAB9A
SCHEMBL354665 0.79 ALDH1A1 (0.34) KMT2AALDH1A1HTTSMN1; SMN2RAB9A
SCHEMBL352954 0.79 ROCK2 (0.47) KMT2AMEN1MAPT
SCHEMBL352955 0.79 ROCK2 (0.47) KMT2AMEN1MAPT
SCHEMBL353436 0.78 ALDH1A1 (0.38) KMT2AALDH1A1HTTSMN1; SMN2RAB9A
SCHEMBL355374 0.78 ALDH1A1 (0.37) KMT2AALDH1A1HTTSMN1; SMN2RAB9A
SCHEMBL353960 0.78 HTT (0.36) KMT2AALDH1A1HTTSMN1; SMN2RAB9A
SCHEMBL19119454 0.77 ALDH1A1 (0.33) KMT2AALDH1A1HTTSMN1; SMN2RAB9A

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
EP-2200440-B1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS CRESTONE INC (US) 2017-07-19 EP claimed
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-B1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS CRESTONE INC (US) 2017-07-19 EP disclosed
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 KMT2A 1210/4885ALDH1A1 2806/4885HTT 1843/4885

“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.