SCHEMBL7983969

SCHEMBL7983969

CNC(=O)c1scnc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.41
KMT2A Q03164 2/20 0.41
PKM P14618 2/20 0.38
POLB P06746 2/20 0.38
KDM4E B2RXH2 4/20 0.38
CRACR2A Q9BSW2 3/20 0.35
WDR5 P61964 1/20 0.35
BAZ2B Q9UIF8 1/20 0.34
ALDH1A1 P00352 4/20 0.34
CFTR P13569 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
HPGD P15428 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
PLK1 P53350 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
NAMPT P43490 1/20 0.33

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
SCHEMBL26719552 0.83 ALDH1A1 (0.40) NTRK1KMT2APKMKDM4ECRACR2A
SCHEMBL8615297 0.80 KDM4E (0.41) NTRK1KMT2APKMPOLBKDM4E
Ammonia Solution, Strong SCHEMBL27582988 0.80 KDM4E (0.50) NTRK1KMT2APKMKDM4ECRACR2A
Methane SCHEMBL28112164 0.80 KDM4E (0.50) NTRK1KMT2APKMKDM4ECRACR2A
SCHEMBL1417795 0.78 KDM4E (0.52) NTRK1KMT2APKMKDM4ECRACR2A
Ethane SCHEMBL27993176 0.77 KDM4E (0.39) NTRK1KMT2APKMKDM4ECRACR2A
SCHEMBL20298538 0.77 KDM4E (0.37) NTRK1KMT2APKMKDM4ECRACR2A
SCHEMBL3110519 0.77 KDM4E (0.37) NTRK1KMT2APKMKDM4ECRACR2A
SCHEMBL31391808 0.74 KDM4E (0.62) KMT2APKMKDM4ECRACR2ABAZ2B
SCHEMBL10821292 0.72 KDM4E (0.34) NTRK1KMT2APKMKDM4ECRACR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130281500-A1 Synergistic Fungicidal Active Substance Combinations WACHENDORFF-NEUMANN ULRIKE (DE) 2013-10-24 US disclosed
US-20130281496-A1 Synergistic Fungicidal Active Substance Combinations WACHENDORFF-NEUMANN ULRIKE (DE) 2013-10-24 US disclosed
US-20130281292-A1 Synergistic Fungicidal Active Substance Combinations WACHENDORFF-NEUMANN ULRIKE (DE) 2013-10-24 US disclosed
US-8377923-B2 Triazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2013-02-19 US disclosed
US-8377923-B2 Triazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2013-02-19 US disclosed
US-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-05-05 US disclosed
US-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-05-05 US disclosed
WO-2010001946-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF アステラス製薬株式会社 (JP) 2010-01-07 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 (4 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-20130281496-A1 Synergistic Fungicidal Active Substance Combinations GLRA1, GRM1, CYP1A2 NTRK1 3880/4885KMT2A 1733/4885PKM 2914/4885
US-20130281500-A1 Synergistic Fungicidal Active Substance Combinations CAT, CYP1A2, GABBR1 NTRK1 4037/4885KMT2A 1600/4885PKM 2577/4885
US-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF HSD11B1, HSD11B2, HSD3B1 NTRK1 2692/4885KMT2A 2930/4885PKM 3142/4885
US-20130281292-A1 Synergistic Fungicidal Active Substance Combinations GLRA1, GRM1, CYP1A2 NTRK1 3880/4885KMT2A 1733/4885PKM 2914/4885

“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.