SCHEMBL23309703

SCHEMBL23309703

O=C(Nc1ccc(F)c(F)c1)c1cc(F)nc(F)c1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.51
▸ NPC1 O15118 5/20 0.51
▸ TP53 P04637 1/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.47
▸ AKR1C3 P42330 1/20 0.46
▸ MAOB P27338 4/20 0.46
▸ KCNQ3 O43525 1/20 0.46
▸ KCNQ2 O43526 1/20 0.46
▸ MAOA P21397 1/20 0.44
▸ HDAC3 O15379 1/20 0.43
▸ EGFR P00533 1/20 0.43
▸ HDAC4 P56524 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC7 Q8WUI4 1/20 0.43

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; SMN2MEN1HTT
SCHEMBL23309495 0.87 FADS1 (0.56) RAB9ANPC1SMN1; SMN2MEN1HTT
SCHEMBL23309531 0.87 MAOB (0.49) RAB9ANPC1SMN1; SMN2KMT2AMAOB
SCHEMBL23309533 0.87 ALDH1A1 (0.43) RAB9ANPC1SMN1; SMN2KMT2AALDH1A1
SCHEMBL23309702 0.87 ALDH1A1 (0.55) RAB9ANPC1TP53SMN1; SMN2KMT2A
SCHEMBL23309708 0.85 RAB9A (0.52) RAB9ANPC1SMN1; SMN2HTTKMT2A
SCHEMBL23309483 0.83 CYP1A2 (0.52) RAB9ANPC1TP53SMN1; SMN2MEN1
SCHEMBL23309621 0.82 RAB9A (0.50) RAB9ANPC1TP53SMN1; SMN2MEN1
SCHEMBL23309502 0.82 NFKB1 (0.51) RAB9ANPC1TP53SMN1; SMN2MEN1
SCHEMBL23309490 0.82 GAA (0.51) RAB9ANPC1TP53SMN1; SMN2MEN1

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 RAB9A 286/4885NPC1 412/4885TP53 4346/4885

“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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