SCHEMBL6889912

SCHEMBL6889912

O=C1c2nc3ccccc3nc2C=CC1c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.36
▸ RAB9A P51151 4/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ NPC1 O15118 3/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ AHR P35869 1/20 0.36
▸ KDM4E B2RXH2 5/20 0.33
▸ PKM P14618 2/20 0.33
▸ GAA P10253 3/20 0.32
▸ LMNA P02545 2/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HTR2B P41595 1/20 0.32
▸ HPGD P15428 2/20 0.31

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
SCHEMBL16346102 0.77 NPC1 (0.40) MAPTRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL2928380 0.77 MAPT (0.38) MAPTRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL27592760 0.77 MAPT (0.38) MAPTRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL387792 0.77 MAPT (0.38) MAPTRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL31450545 0.77 MAPT (0.38) MAPTRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL10983158 0.77 NPC1 (0.38) MAPTRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL2501720 0.77 MAPT (0.38) MAPTRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL652529 0.73 MAPT (0.39) MAPTRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL6669049 0.73 MAPT (0.35) MAPTRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL28361348 0.73 ALDH1A1 (0.37) MAPTRAB9AALDH1A1NPC1SMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110868862-B Synergistic mixtures for fungal control in vegetables 美国陶氏益农公司 2022-07-05 — — CN disclosed
US-20040186075-A1 High-energy cyclodextrin complexes LOFTSSON THORSTEINN (IS) 2004-09-23 — — US disclosed
US-6699849-B1 BIOAVAILABILITY CYCLOPS, EHF. (IS) 2004-03-02 — — US disclosed
EP-1067942-A1 HIGH-ENERGY CYCLODEXTRIN COMPLEXES Cyclops, EHF. (IS) 2001-01-17 — — EP disclosed
WO-1999042111-A1 HIGH-ENERGY CYCLODEXTRIN COMPLEXES CYCLOPS, EHF. (IS) 1999-08-26 — — WO 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-20040186075-A1 High-energy cyclodextrin complexes GYS2, SI, GYS1 MAPT 1489/4885RAB9A 4133/4885ALDH1A1 4506/4885

“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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