SCHEMBL352587

SCHEMBL352587

CN(Cc1nsc(NC(=O)NCc2ccc(Cl)s2)n1)C(=O)c1cc(S(N)(=O)=O)cn1C

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL19119371 0.89 KLKB1 (0.31) KLKB1
SCHEMBL353144 0.88 F10 (0.33) ALDH1A1HTTRAB9AKMT2ASMN1; SMN2
SCHEMBL353272 0.83 KMT2A (0.37) ALDH1A1HTTKMT2A
SCHEMBL353815 0.83 ROCK2 (0.42) ALDH1A1
SCHEMBL352427 0.77 SMN1; SMN2 (0.35) ALDH1A1HTTRAB9AKMT2ASMN1; SMN2
SCHEMBL353752 0.76 LMNA (0.39) ALDH1A1HTTRAB9AKMT2ASMN1; SMN2
SCHEMBL354448 0.75 KMT2A (0.33) ALDH1A1HTTRAB9AKMT2ASMN1; SMN2
SCHEMBL353858 0.75 HTT (0.42) ALDH1A1HTTRAB9AKMT2ASMN1; SMN2
SCHEMBL354377 0.74 ALDH1A1 (0.32) ALDH1A1HTTRAB9AKMT2ASMN1; SMN2
SCHEMBL352384 0.74 ALDH1A1 (0.37) ALDH1A1HTTKMT2ASMN1; SMN2

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-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

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 KLKB1 4776/4885ALDH1A1 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.