SCHEMBL23309554

SCHEMBL23309554

CC(C)(C)c1ccc(NC(=O)c2cc(F)nc(F)c2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 6/20 0.63
HDAC3 O15379 2/20 0.60
HDAC6 Q9UBN7 2/20 0.60
HDAC11 Q96DB2 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
SMN1; SMN2 Q16637 3/20 0.59
NPC1 O15118 3/20 0.59
RAB9A P51151 3/20 0.59
MAPT P10636 2/20 0.57
TP53 P04637 1/20 0.57
NAMPT P43490 1/20 0.55
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
XBP1 P17861 1/20 0.54
MAPK1 P28482 1/20 0.54
HTT P42858 1/20 0.54
NR1H4 Q96RI1 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54

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
SCHEMBL23309610 0.86 NPC1 (0.64) TRPV1HDAC3HDAC6HDAC8NPC1
SCHEMBL2908907 0.85 HDAC6 (0.74) TRPV1HDAC3HDAC6HDAC11HDAC8
SCHEMBL23352870 0.84 TRPV1 (0.67) TRPV1HDAC3HDAC6HDAC11HDAC8
SCHEMBL23309664 0.83 RAB9A (0.62) SMN1; SMN2NPC1RAB9AMAPTTP53
SCHEMBL23309690 0.82 MEN1 (0.64) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL7303163 0.82 HDAC3 (0.86) TRPV1HDAC3HDAC6HDAC11HDAC8
SCHEMBL23309642 0.81 GAA (0.48) HDAC3HDAC6SMN1; SMN2NPC1RAB9A
SCHEMBL16678174 0.81 HDAC3 (0.73) TRPV1HDAC3HDAC6HDAC11HDAC8
SCHEMBL16677863 0.81 HDAC6 (0.73) TRPV1HDAC3HDAC6HDAC11HDAC8
SCHEMBL21652312 0.81 TRPV1 (0.76) TRPV1HDAC3HDAC6HDAC11HDAC8

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-20210120817-A1 PLANT DISEASE CONTROL AGENT MEIJI SEIKA PHARMA CO., LTD. (JP) 2021-04-29 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-20210120817-A1 PLANT DISEASE CONTROL AGENT BROX, ALG1, CTRL TRPV1 4667/4885HDAC3 4042/4885HDAC6 2940/4885

“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.