SCHEMBL354511

SCHEMBL354511

Cc1noc(C)c1C(=O)N(C)Cc1csc(NC(=O)OC(C)(C)C)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KB Q9UBF8 1/20 0.42
SIRT1 Q96EB6 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 3/20 0.39
MAPK1 P28482 3/20 0.39
HTT P42858 2/20 0.39
KMT2A Q03164 2/20 0.39
THRB P10828 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
POLB P06746 2/20 0.38
TSHR P16473 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37

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
SCHEMBL353843 0.85 RAB9A (0.44) NPC1RAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL355007 0.80 PI4KB (0.43) PI4KBSIRT1MAPK1TSHRSMN1; SMN2
SCHEMBL355403 0.77 GAA (0.51) NPC1RAB9ALMNAKMT2ATHRB
SCHEMBL353019 0.76 ROCK2 (0.48) NPC1RAB9ALMNAKMT2AALDH1A1
SCHEMBL353819 0.76 ROCK2 (0.47) NPC1RAB9ALMNAMAPK1HTT
SCHEMBL354033 0.76 RAB9A (0.40) NPC1RAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL352843 0.76 RAB9A (0.40) NPC1RAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL352359 0.76 LMNA (0.41) NPC1RAB9ACYP1A2CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL369119 0.76 RAB9A (0.40) NPC1RAB9ALMNAMAPK1HTT
SCHEMBL352233 0.75 SIRT1 (0.46) PI4KBSIRT1NPC1RAB9ALMNA

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 5 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-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 PI4KB 3143/4885SIRT1 78/4885NPC1 3444/4885

“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.