SCHEMBL29687121

SCHEMBL29687121

COc1ccc(-n2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)ccc2=O)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ USP2 O75604 1/20 0.47
▸ ABL1 P00519 12/20 0.46
▸ POLB P06746 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ KCNH2 Q12809 1/20 0.45
▸ PLAU P00749 1/20 0.44
▸ LMNA P02545 1/20 0.44

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
SCHEMBL23091745 1.00 NPC1 (0.47) NPC1RAB9AALDH1A1TP53SMN1; SMN2
SCHEMBL23091719 0.89 RAB9A (0.50) NPC1RAB9AALDH1A1TP53SMN1; SMN2
SCHEMBL29687405 0.87 RAB9A (0.53) NPC1RAB9AALDH1A1TP53SMN1; SMN2
SCHEMBL23091691 0.87 RAB9A (0.53) NPC1RAB9AALDH1A1TP53SMN1; SMN2
SCHEMBL23091767 0.85 MAPT (0.46) ABL1MAPT
SCHEMBL29687786 0.85 MAPT (0.46) ABL1MAPT
SCHEMBL23091708 0.84 TRPV1 (0.47) NPC1RAB9AALDH1A1TP53SMN1; SMN2
SCHEMBL29687203 0.84 ABL1 (0.48) ABL1
SCHEMBL23091717 0.84 ABL1 (0.48) ABL1
SCHEMBL23091694 0.83 MAPT (0.45) ABL1MAPT

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 NPC1 333/4885RAB9A 1661/4885ALDH1A1 651/4885

“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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