SCHEMBL18157

SCHEMBL18157

N#Cc1nccc(-c2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.55
CTSS P25774 7/20 0.55
CTSK P43235 7/20 0.55
IRAK4 Q9NWZ3 1/20 0.47
KIF11 P52732 2/20 0.47
TRPV3 Q8NET8 1/20 0.42
TOP1 P11387 2/20 0.41
GABBR2 O75899 1/20 0.40
GABBR1 Q9UBS5 1/20 0.40
GSR P00390 1/20 0.38
KCNH2 Q12809 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MYC P01106 1/20 0.37
WDR5 P61964 1/20 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
SCHEMBL18535 0.82 CTSS (0.63) KMOCTSSCTSKIRAK4KCNH2
SCHEMBL28024474 0.81 KMO (0.58) KMOCTSSCTSKIRAK4
SCHEMBL22738478 0.80 KMO (0.51) KMOCTSSCTSKIRAK4KDM4E
SCHEMBL1509690 0.78 KMO (0.58) KMOCTSSCTSKIRAK4KDM4E
SCHEMBL28267570 0.78 MEN1 (0.54) KIF11TRPV3TOP1KDM4EMEN1
SCHEMBL3569976 0.76 CTSK (0.64) CTSSCTSKKIF11KCNH2KDM4E
SCHEMBL3564110 0.75 CTSK (0.67) CTSSCTSKKIF11KCNH2
Trifluoroacetic Acid SCHEMBL27908901 0.75 KMO (0.62) KMOCTSSCTSKIRAK4KCNH2
SCHEMBL16538634 0.75 HSP90AA1 (0.59) KMOKIF11TRPV3TOP1KDM4E
SCHEMBL30885864 0.75 KIF11 (0.47) KMOKIF11TRPV3TOP1KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120083474-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 US disclosed
US-20120083474-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 US disclosed
WO-2012025460-A1 OXADIAZOLINONE DERIVATIVES AND USE THEREOF IN PEST CONTROL BAYER CROPSCIENCE AG (DE) 2012-03-01 WO disclosed
WO-2010141805-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2010-12-09 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-20120083474-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 TRPA1, TRPV1, TRPV2 KMO 1781/4885CTSS 1408/4885CTSK 1483/4885

“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.