SCHEMBL354643

SCHEMBL354643

CCOC(=O)c1csc(NC(=O)NCc2ccc(Cl)c(Cl)c2)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.59
CYP1A2 P05177 1/20 0.55
CYP2C19 P33261 1/20 0.55
LMNA P02545 3/20 0.54
MAPK1 P28482 2/20 0.54
SMN1; SMN2 Q16637 6/20 0.54
TSHR P16473 2/20 0.54
EGFR P00533 1/20 0.53
RAB9A P51151 7/20 0.53
NPC1 O15118 5/20 0.53
ANO1 Q5XXA6 1/20 0.52
HSP90AA1 P07900 3/20 0.51
KDM4E B2RXH2 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
MAPT P10636 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
HPGD P15428 1/20 0.48

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
Urea SCHEMBL4725120 0.97 L3MBTL1 (0.56) L3MBTL1CYP1A2CYP2C19LMNAMAPK1
SCHEMBL368549 0.90 TSHR (0.52) L3MBTL1CYP1A2CYP2C19LMNAMAPK1
SCHEMBL353536 0.86 ROCK1 (0.49) MAPK1TSHRRAB9ANPC1MAPT
SCHEMBL354603 0.85 ROCK1 (0.50) L3MBTL1LMNAMAPK1SMN1; SMN2TSHR
SCHEMBL4780435 0.84 LMNA (0.64) LMNAMAPK1SMN1; SMN2RAB9ANPC1
SCHEMBL7301734 0.84 SMN1; SMN2 (0.67) L3MBTL1CYP1A2CYP2C19LMNAMAPK1
SCHEMBL353659 0.82 TSHR (0.47) MAPK1SMN1; SMN2TSHRMAPTMEN1
Urea SCHEMBL4776814 0.81 LMNA (0.60) LMNASMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL4776812 0.81 TSHR (0.48) MAPK1SMN1; SMN2TSHRMAPTMEN1
SCHEMBL3607419 0.81 LMNA (0.71) L3MBTL1CYP1A2CYP2C19LMNAMAPK1

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 disclosed
US-8716320-B2 Antibacteriall heterocyclic ureas REPLIDYNE, INC. (US) 2014-05-06 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
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
US-20080207703-A1 Antibacterial heterocyclic ureas REPLIDYNE, INC. (US) 2008-08-28 US disclosed
WO-2008011191-A1 ANTIBACTERIAL HETEROCYCLIC UREAS REPLIDYNE, INC. (US) 2008-01-24 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-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds NAAA, AADAC, RPSA L3MBTL1 4619/4885CYP1A2 2181/4885CYP2C19 2013/4885
US-20080207703-A1 Antibacterial heterocyclic ureas UMPS, UROD, UGP2 L3MBTL1 3837/4885CYP1A2 2394/4885CYP2C19 1243/4885

“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.