SCHEMBL15313327

SCHEMBL15313327

CCNC(=O)c1scnc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC1 Q13547 1/20 0.41
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2D6 P10635 1/20 0.38
NTRK1 P04629 1/20 0.37
HPGD P15428 3/20 0.37
NPC1 O15118 2/20 0.37
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35
HSD17B13 Q7Z5P4 2/20 0.35
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CRACR2A Q9BSW2 2/20 0.34
P2RX7 Q99572 1/20 0.34
WDR5 P61964 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 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 0.82 ALDH1A1 (0.40) KMT2ANTRK1NPC1KDM4EPKM
SCHEMBL7983969 0.82 NTRK1 (0.41) HDAC4HDAC6KMT2ANTRK1HPGD
SCHEMBL21101550 0.77 PKM (0.56) HDAC4HDAC6HDAC1KMT2AHPGD
SCHEMBL8615297 0.76 KDM4E (0.41) KMT2ANTRK1KDM4EPKMALDH1A1
SCHEMBL16637166 0.75 HDAC4 (0.44) HDAC4HDAC6HDAC1CYP1A2HSD17B13
SCHEMBL1417518 0.75 KDM4E (0.49) HDAC4HDAC6HDAC1KMT2ACYP1A2
SCHEMBL1417795 0.74 KDM4E (0.52) KMT2ACYP2C19NTRK1NPC1KDM4E
SCHEMBL252937 0.74 NPSR1 (0.53) HPGDKDM4EALDH1A1SMN1; SMN2HSD17B10
Ethane SCHEMBL27993176 0.73 KDM4E (0.39) KMT2ANTRK1KDM4EPKMALDH1A1
SCHEMBL20298538 0.73 KDM4E (0.37) KMT2ANTRK1KDM4EPKMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130274100-A1 Synergistic Fungicidal Active Substance Combinations WACHENDORFF-NEUMANN ULRIKE (DE) 2013-10-17 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-20130274100-A1 Synergistic Fungicidal Active Substance Combinations GLRA1, GRM1, CYP1A2 HDAC4 686/4885HDAC6 297/4885HDAC1 151/4885

“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.