SCHEMBL29687405

SCHEMBL29687405

COc1cccc(-n2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)ccc2=O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 7/20 0.53
▸ NPC1 O15118 6/20 0.53
▸ ABL1 P00519 1/20 0.48
▸ TP53 P04637 5/20 0.47
▸ SMN1; SMN2 Q16637 6/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ PKM P14618 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ HPGD P15428 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ F10 P00742 1/20 0.47
▸ MAPT P10636 4/20 0.45
▸ LMNA P02545 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ PLG P00747 2/20 0.45
▸ PLAU P00749 2/20 0.45
▸ PLAT P00750 2/20 0.45
▸ PGR P06401 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45

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
SCHEMBL23091691 1.00 RAB9A (0.53) RAB9ANPC1ABL1TP53SMN1; SMN2
SCHEMBL23091719 0.90 RAB9A (0.50) RAB9ANPC1ABL1TP53SMN1; SMN2
SCHEMBL29687788 0.89 ABL1 (0.48) ABL1ALDH1A1
SCHEMBL23091652 0.89 ABL1 (0.48) ABL1ALDH1A1
SCHEMBL23091701 0.88 TRPV1 (0.48) RAB9ANPC1ABL1ALDH1A1F10
SCHEMBL29687121 0.87 NPC1 (0.47) RAB9ANPC1ABL1TP53SMN1; SMN2
SCHEMBL23091745 0.87 NPC1 (0.47) RAB9ANPC1ABL1TP53SMN1; SMN2
SCHEMBL29687203 0.87 ABL1 (0.48) ABL1
SCHEMBL23091717 0.87 ABL1 (0.48) ABL1
SCHEMBL23091723 0.86 ABL1 (0.46) ABL1

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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