SCHEMBL353386

SCHEMBL353386

Cc1nccnc1C(=O)N(C)Cc1csc(NC(=O)Oc2ccccc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 2/20 0.45
PKM P14618 1/20 0.45
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
LMNA P02545 5/20 0.43
HTT P42858 4/20 0.43
MAPK1 P28482 2/20 0.43
ALDH1A1 P00352 5/20 0.43
PDE5A O76074 1/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 3/20 0.41
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
CDK5 Q00535 1/20 0.40
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39

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
SCHEMBL355007 0.84 PI4KB (0.43) SMN1; SMN2MAPK1GAA
SCHEMBL353843 0.81 RAB9A (0.44) NPC1RAB9ASMN1; SMN2MAPTPKM
SCHEMBL353664 0.76 ROCK1 (0.41) LMNAMAPK1ROCK2ROCK1
SCHEMBL19139854 0.75 NPC1 (0.50) NPC1RAB9ASMN1; SMN2MAPTPKM
SCHEMBL352881 0.75 KMT2A (0.40) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL352753 0.75 ROCK2 (0.54) ROCK2ROCK1
SCHEMBL91572 0.75 RAB9A (0.66) NPC1RAB9ASMN1; SMN2MAPTPKM
SCHEMBL4726402 0.74 KMT2A (0.49) NPC1RAB9ASMN1; SMN2MAPTPKM
SCHEMBL353296 0.74 ROCK1 (0.51) MAPTLMNAROCK2ROCK1
SCHEMBL352380 0.73 ROCK1 (0.39) RAB9ALMNAROCK2ROCK1

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 10 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 disclosed
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-8148380-B2 Antibacterial amide and sulfonamide substituted heterocyclic urea compounds CRESTONE, INC. (US) 2012-04-03 US 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
US-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds CRESTONE, INC. (US) 2012-01-19 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 NPC1 3444/4885RAB9A 1714/4885SMN1; SMN2 2356/4885

“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.