SCHEMBL7583350

SCHEMBL7583350

CC(C)(C)C(=O)C(=Cc1ccc(F)c(Br)c1)C(=O)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ MAOB P27338 5/20 0.40
▸ MAOA P21397 4/20 0.40
▸ VCP P55072 1/20 0.38
▸ DPEP1 P16444 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL7583346 1.00 NPC1 (0.40) NPC1RAB9ATDP1MAOBMAOA
SCHEMBL7576321 0.70 IDO1 (0.50) NPC1RAB9ATDP1MAOBMAOA
SCHEMBL7629273 0.69 MAOB (0.57) NPC1RAB9ATDP1MAOBMAOA
SCHEMBL7629265 0.69 MAOB (0.57) NPC1RAB9ATDP1MAOBMAOA
SCHEMBL7573265 0.68 VCP (0.40) NPC1RAB9ATDP1MAOBMAOA
SCHEMBL7573261 0.68 VCP (0.40) NPC1RAB9ATDP1MAOBMAOA
SCHEMBL1907796 0.67 DPEP1 (0.49) NPC1RAB9ATDP1MAOBMAOA
SCHEMBL2394174 0.67 DPEP1 (0.49) NPC1RAB9ATDP1MAOBMAOA
SCHEMBL24181250 0.66 VCP (0.46) NPC1RAB9ATDP1MAOBMAOA
SCHEMBL3183880 0.65 MEN1 (0.49) TDP1MAPTNPSR1MEN1ALDH1A1

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-20020099070-A1 Dihydronaphthyridine potassium channel openers ABBOTT LABORATORIES 2002-07-25 — — 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-20020099070-A1 Dihydronaphthyridine potassium channel openers KCNH1, KCNN1, KCNJ2 NPC1 244/4885RAB9A 1403/4885TDP1 792/4885

“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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