SCHEMBL352887

SCHEMBL352887

CN(Cc1nsc(NC(=O)NCc2ccc(Cl)s2)n1)C(=O)C1(c2ccc(F)cc2)CCC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.41
FFAR2 O15552 3/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
AVPR1A P37288 2/20 0.32
TACR3 P29371 1/20 0.32
ATG4B Q9Y4P1 1/20 0.32
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
DRD3 P35462 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
IDO1 P14902 1/20 0.30

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
SCHEMBL352911 0.92 HSD11B1 (0.42) HSD11B1CYP3A4CYP2D6CYP2C9ROCK2
SCHEMBL353128 0.83 ROCK2 (0.47) HSD11B1ROCK2ROCK1ATG4BKMT2A
SCHEMBL19119526 0.82 DGAT1 (0.33) ROCK2ROCK1ALDH1A1KDM4EHTT
SCHEMBL354665 0.81 ALDH1A1 (0.34) ALDH1A1HTTRAB9AKMT2ASMN1; SMN2
SCHEMBL353281 0.79 HSD11B1 (0.43) HSD11B1CYP3A4CYP2D6CYP2C9ROCK2
SCHEMBL354784 0.79 ROCK2 (0.39) HSD11B1ROCK2ROCK1ALDH1A1KDM4E
SCHEMBL352853 0.78 ROCK2 (0.47) HSD11B1ROCK2ROCK1ATG4BKMT2A
SCHEMBL354802 0.76 SMN1; SMN2 (0.37) CYP3A4ALDH1A1KDM4ERAB9AKMT2A
SCHEMBL19118740 0.75 ALDH1A1 (0.33) ALDH1A1KDM4EHTTRAB9AKMT2A
SCHEMBL353276 0.75 KMT2A (0.36) ALDH1A1KDM4EHTTRAB9AKMT2A

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
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 HSD11B1 4561/4885FFAR2 3007/4885CYP3A4 1232/4885

“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.