SCHEMBL23309507

SCHEMBL23309507

O=C(Nc1ccccn1)c1cc(F)nc(F)c1F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 9/20 0.57
▸ RAB9A P51151 9/20 0.57
▸ MEN1 O00255 3/20 0.57
▸ KMT2A Q03164 3/20 0.57
▸ L3MBTL1 Q9Y468 2/20 0.55
▸ KDM4E B2RXH2 2/20 0.55
▸ CHRNB2 P17787 1/20 0.51
▸ CHRNB4 P30926 1/20 0.51
▸ CHRNA3 P32297 1/20 0.51
▸ CHRNA4 P43681 1/20 0.51
▸ KCNMA1 Q12791 1/20 0.51
▸ SMN1; SMN2 Q16637 6/20 0.50
▸ TP53 P04637 4/20 0.50
▸ GAA P10253 1/20 0.50
▸ SORT1 Q99523 1/20 0.50
▸ PKM P14618 2/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.48
▸ FGFR3 P22607 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ TSHR P16473 1/20 0.47

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
SCHEMBL23309628 0.83 SIRT2 (0.46) NPC1RAB9AMEN1KMT2ASORT1
SCHEMBL23309505 0.82 ALDH1A1 (0.43) NPC1RAB9AMEN1KMT2AL3MBTL1
SCHEMBL23309532 0.81 RAB9A (0.51) NPC1RAB9AKMT2AKDM4ECHRNB2
SCHEMBL23309590 0.80 RAB9A (0.68) NPC1RAB9AMEN1KMT2AL3MBTL1
SCHEMBL23309490 0.80 GAA (0.51) NPC1RAB9AMEN1KMT2AL3MBTL1
SCHEMBL23309525 0.78 RIOK2 (0.47) NPC1RAB9AMEN1KMT2AL3MBTL1
SCHEMBL23309730 0.77 KMT2A (0.47) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL14636633 0.76 MEN1 (0.69) NPC1RAB9AMEN1KMT2AL3MBTL1
SCHEMBL30362638 0.76 MEN1 (0.69) NPC1RAB9AMEN1KMT2AL3MBTL1
SCHEMBL23309555 0.75 HTT (0.55) NPC1RAB9AL3MBTL1KDM4EKCNMA1

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 NPC1 412/4885RAB9A 286/4885MEN1 1633/4885

“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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