SCHEMBL23309505

SCHEMBL23309505

O=C(Nc1ncccn1)c1cc(F)nc(F)c1F

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.43
▸ MAOA P21397 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ SIRT2 Q8IXJ6 1/20 0.39
▸ RAB9A P51151 3/20 0.38
▸ LMNA P02545 2/20 0.38
▸ GLA P06280 1/20 0.38
▸ HTT P42858 1/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ NPC1 O15118 1/20 0.35

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
SCHEMBL23309507 0.82 NPC1 (0.57) ALDH1A1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL23309556 0.80 F2 (0.35) MAOAMAOBMAPTTDP1KMT2A
SCHEMBL23309730 0.79 KMT2A (0.47) ALDH1A1MAOAMAOBRAB9ALMNA
SCHEMBL23309490 0.78 GAA (0.51) ALDH1A1MAOAMAOBRAB9ALMNA
SCHEMBL23309488 0.78 CYP1A2 (0.52) ALDH1A1RAB9ALMNAL3MBTL1POLB
SCHEMBL23309555 0.77 HTT (0.55) RAB9AHTTL3MBTL1NPC1
SCHEMBL23309628 0.77 SIRT2 (0.46) MAOAMAOBSIRT2RAB9AMEN1
SCHEMBL23309532 0.77 RAB9A (0.51) ALDH1A1SIRT2RAB9AMAPTKMT2A
SCHEMBL23309502 0.75 NFKB1 (0.51) ALDH1A1MAOBRAB9AHTTPOLB
SCHEMBL23309725 0.75 GAA (0.43) ALDH1A1MAOAMAOB

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 ALDH1A1 2033/4885MAOA 1498/4885MAOB 2341/4885

“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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