SCHEMBL353398

SCHEMBL353398

Cc1onc(C(F)(F)F)c1C(=O)N(C)Cc1csc(NC(=O)NCc2ccc(Cl)c(Cl)c2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.40
GAA P10253 3/20 0.38
KDM4E B2RXH2 2/20 0.38
ALOX12 P18054 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ROCK1 Q13464 7/20 0.37
ROCK2 O75116 6/20 0.37
SLC2A1 P11166 1/20 0.37
TRPV1 Q8NER1 2/20 0.35
XBP1 P17861 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
AURKA O14965 1/20 0.35
DYRK3 O43781 1/20 0.35
PRKD3 O94806 1/20 0.35

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
SCHEMBL353096 0.90 P2RX7 (0.46) P2RX7GAAKDM4EALOX12CYP1A2
SCHEMBL354653 0.88 LMNA (0.46) P2RX7GAACYP1A2CYP2C9CYP2C19
SCHEMBL355096 0.85 BACE1 (0.46) GAAKDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL353637 0.83 RAB9A (0.41) P2RX7KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL354526 0.83 ROCK1 (0.42) GAAKDM4EALOX12TSHRKMT2A
SCHEMBL352139 0.83 ROCK1 (0.44) ROCK1ROCK2TRPV1AKT1GSK3B
SCHEMBL353043 0.82 ROCK1 (0.41) GAAKDM4EALOX12ROCK1ROCK2
SCHEMBL883885 0.82 P2RX7 (0.45) P2RX7GAAKDM4EALOX12CYP1A2
SCHEMBL352630 0.82 ROCK1 (0.39) P2RX7GAAKDM4EALOX12TSHR
SCHEMBL352968 0.82 ROCK1 (0.41) P2RX7GAAKDM4EALOX12TSHR

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
EP-2200440-B1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS CRESTONE INC (US) 2017-07-19 EP claimed
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-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

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 P2RX7 2058/4885GAA 602/4885KDM4E 1862/4885

“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.