SCHEMBL29687330

SCHEMBL29687330

COc1cccc(-n2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)ccc2=O)c1OC

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ ABL1 P00519 12/20 0.43
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41
▸ TRPV1 Q8NER1 2/20 0.41
▸ KCNH2 Q12809 1/20 0.40

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
SCHEMBL23091726 1.00 RAB9A (0.44) RAB9ANPC1ABL1MEN1KMT2A
SCHEMBL23091720 0.83 ABL1 (0.46) ABL1ALDH1A1TRPV1
SCHEMBL29687463 0.83 ABL1 (0.46) ABL1ALDH1A1TRPV1
SCHEMBL29687481 0.82 ABL1 (0.45) ABL1ALDH1A1TRPV1
SCHEMBL23091728 0.82 ABL1 (0.45) ABL1ALDH1A1TRPV1
SCHEMBL23091691 0.82 RAB9A (0.53) RAB9ANPC1ABL1MEN1KMT2A
SCHEMBL29687405 0.82 RAB9A (0.53) RAB9ANPC1ABL1MEN1KMT2A
SCHEMBL23091719 0.81 RAB9A (0.50) RAB9ANPC1ABL1MEN1KMT2A
SCHEMBL23091745 0.81 NPC1 (0.47) RAB9ANPC1ABL1MEN1KMT2A
SCHEMBL29687121 0.81 NPC1 (0.47) RAB9ANPC1ABL1MEN1KMT2A

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
EP-4028387-A1 NEW COMPOUNDS AND METHODS BenevolentAI Bio Limited (GB) 2022-07-20 — — EP claimed
US-20230002346-A1 NEW COMPOUNDS AND METHODS BenevolentAl Bio Limited (GB) 2023-01-05 — — US disclosed
EP-4028387-A1 NEW COMPOUNDS AND METHODS BenevolentAI Bio Limited (GB) 2022-07-20 — — EP 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-20230002346-A1 NEW COMPOUNDS AND METHODS ABL2, ABL1, ALK RAB9A 1661/4885NPC1 333/4885ABL1 2/4885

“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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