SCHEMBL30401711

SCHEMBL30401711

O=C(/C=C/c1ccco1)NCCc1c[nH]cn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.61
▸ NPC1 O15118 4/20 0.61
▸ RAB9A P51151 4/20 0.61
▸ POLB P06746 10/20 0.58
▸ KMT2A Q03164 10/20 0.58
▸ MAPT P10636 8/20 0.55
▸ MEN1 O00255 8/20 0.55
▸ L3MBTL1 Q9Y468 7/20 0.55
▸ TDP1 Q9NUW8 5/20 0.55
▸ KDM4E B2RXH2 3/20 0.55
▸ CACNA1B Q00975 2/20 0.55
▸ APBA1 Q02410 2/20 0.55
▸ HTT P42858 2/20 0.55
▸ APEX1 P27695 1/20 0.52
▸ RECQL P46063 1/20 0.52
▸ PKM P14618 2/20 0.49
▸ LMNA P02545 3/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.46
▸ BLM P54132 2/20 0.46

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
SCHEMBL31210244 1.00 ALDH1A1 (0.61) ALDH1A1NPC1RAB9APOLBKMT2A
SCHEMBL5076473 0.81 MMP1 (0.60) ALDH1A1NPC1RAB9APOLBKMT2A
SCHEMBL31210267 0.81 MMP1 (0.60) ALDH1A1NPC1RAB9APOLBKMT2A
SCHEMBL31210241 0.79 L3MBTL1 (0.39) NPC1RAB9APOLBKMT2AMAPT
SCHEMBL27267319 0.79 L3MBTL1 (0.39) NPC1RAB9APOLBKMT2AMAPT
SCHEMBL27267340 0.79 L3MBTL1 (0.39) NPC1RAB9APOLBKMT2AMAPT
SCHEMBL31210264 0.78 PPARG (0.49) ALDH1A1NPC1RAB9APOLBKMT2A
SCHEMBL31210275 0.78 PPARG (0.49) ALDH1A1NPC1RAB9APOLBKMT2A
SCHEMBL15854210 0.77 RAB9A (0.48) ALDH1A1NPC1RAB9APOLBKMT2A
SCHEMBL31210238 0.77 MAPT (0.56) ALDH1A1NPC1RAB9AKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240409517-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2024-12-12 — — US disclosed
EP-4415561-A2 ORGANIC COMPOUNDS Givaudan SA (CH) 2024-08-21 — — EP disclosed
WO-2023062110-A2 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2023-04-20 — — 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-20240409517-A1 ORGANIC COMPOUNDS HTR3C, HTR3A, H1-0 ALDH1A1 886/4885NPC1 1524/4885RAB9A 2412/4885

“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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