SCHEMBL23309726

SCHEMBL23309726

O=C(NC(=O)c1cc(F)nc(F)c1F)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.40
▸ NPC1 O15118 9/20 0.40
▸ RAB9A P51151 9/20 0.40
▸ CRHBP P24387 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ HPGD P15428 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ IDO1 P14902 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ HDAC7 Q8WUI4 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38

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
SCHEMBL23309490 0.80 GAA (0.51) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL23309725 0.77 GAA (0.43) ALDH1A1HPGDHSD17B10
SCHEMBL23309641 0.77 KLKB1 (0.36) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL23309706 0.77 TSHR (0.55) KMT2AHPGDSMN1; SMN2
SCHEMBL23309724 0.74 GAA (0.55) ALDH1A1NPC1KMT2AHPGDHSD17B10
SCHEMBL23309730 0.74 KMT2A (0.47) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL3387152 0.73 KEAP1 (0.42) ALDH1A1IDO1ALOX15
SCHEMBL23309632 0.72 KDM4E (0.36) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL76489 0.72 ALDH1A1 (0.67) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL23309506 0.71 MAPT (0.40) —

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 2033/4885NPC1 412/4885RAB9A 286/4885

“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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