SCHEMBL23309514

SCHEMBL23309514

CC(C)(C)c1ccc(NC(=O)c2cc(F)nc(F)c2F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 6/20 0.50
▸ RAB9A P51151 3/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ XBP1 P17861 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ HDAC3 O15379 1/20 0.48
▸ HDAC11 Q96DB2 1/20 0.48
▸ HDAC8 Q9BY41 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ GAA P10253 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ DHODH Q02127 1/20 0.44
▸ DHPS P49366 1/20 0.44
▸ PLG P00747 1/20 0.44
▸ KLKB1 P03952 1/20 0.44

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
SCHEMBL23309730 0.89 KMT2A (0.47) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL23309621 0.85 RAB9A (0.50) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL446628 0.83 TRPV1 (0.52) TRPV1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL23309528 0.83 PRSS12 (0.44) TRPV1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL23309708 0.82 RAB9A (0.52) RAB9ANPC1SMN1; SMN2KMT2AMAPK1
SCHEMBL23309490 0.81 GAA (0.51) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL23309617 0.81 NPC1 (0.54) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL23309714 0.81 POLB (0.51) RAB9ANPC1SMN1; SMN2MAPTPLG
SCHEMBL23309554 0.80 TRPV1 (0.63) TRPV1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL23309555 0.80 HTT (0.55) RAB9ANPC1MAPK1HTT

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 4667/4885RAB9A 286/4885NPC1 412/4885

“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.

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