SCHEMBL3107534

SCHEMBL3107534

CSCn1cc(C(=O)NCc2cccc(C(F)(F)F)c2)nn1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DDT P30046 2/20 0.62
GLS O94925 14/20 0.61
MLYCD O95822 1/20 0.51
CCR1 P32246 1/20 0.51
HRH4 Q9H3N8 1/20 0.51
MEN1 O00255 1/20 0.50
PLA2G1B P04054 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
GAA P10253 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ATG4B Q9Y4P1 1/20 0.50

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
SCHEMBL3105042 0.87 GLS (0.52) DDTGLS
SCHEMBL3113908 0.85 GLS (0.75) GLS
SCHEMBL21907519 0.84 GLS (0.69) DDTGLS
SCHEMBL21907712 0.80 GLS (0.67) DDTGLS
SCHEMBL25159948 0.79 GLS (0.81) GLS
SCHEMBL29752676 0.79 GLS (0.88) GLS
SCHEMBL17419989 0.79 GLS (0.88) GLS
SCHEMBL17411620 0.78 GLS (0.81) GLS
SCHEMBL3109412 0.77 GLS (0.57) GLS
SCHEMBL17390585 0.77 GLS (0.62) DDTGLS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7803822-B2 Triazole derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-28 US disclosed
US-20090105253-A1 Triazole Derivative and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-23 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-20090105253-A1 Triazole Derivative and Use Thereof F2R, HRH4, F2RL3 DDT 4203/4885GLS 2923/4885MLYCD 4763/4885

“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.