SCHEMBL23091643

SCHEMBL23091643

O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1ccc(=O)n(-c2cccnc2)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 14/20 0.51
▸ OPRM1 P35372 1/20 0.49
▸ KCNH2 Q12809 1/20 0.49
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ FLT1 P17948 1/20 0.45
▸ KDR P35968 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ EPHX2 P34913 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
SCHEMBL29687226 1.00 ABL1 (0.51) ABL1OPRM1KCNH2NPC1RAB9A
SCHEMBL23091748 0.90 ABL1 (0.58) ABL1
SCHEMBL23091701 0.89 TRPV1 (0.48) ABL1NPC1RAB9APOLBFLT1
SCHEMBL23091736 0.87 ABL1 (0.51) ABL1
SCHEMBL29687316 0.87 ABL1 (0.51) ABL1
SCHEMBL29687487 0.86 ABL1 (0.57) ABL1
SCHEMBL23091780 0.86 ABL1 (0.57) ABL1
SCHEMBL23091675 0.86 MEN1 (0.47) ABL1KMT2A
SCHEMBL24849975 0.85 ABL1 (0.49) ABL1
SCHEMBL23091717 0.85 ABL1 (0.48) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230002346-A1 NEW COMPOUNDS AND METHODS BenevolentAl Bio Limited (GB) 2023-01-05 — — US claimed
EP-4028387-A1 NEW COMPOUNDS AND METHODS BenevolentAI Bio Limited (GB) 2022-07-20 — — EP claimed
WO-2021048567-A1 NEW COMPOUNDS AND METHODS BENEVOLENTAI BIO LIMITED (GB) 2021-03-18 — — WO claimed
US-20230002346-A1 NEW COMPOUNDS AND METHODS BenevolentAl Bio Limited (GB) 2023-01-05 — — US disclosed
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
WO-2021048567-A1 NEW COMPOUNDS AND METHODS BENEVOLENTAI BIO LIMITED (GB) 2021-03-18 — — 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-20230002346-A1 NEW COMPOUNDS AND METHODS ABL2, ABL1, ALK ABL1 2/4885OPRM1 1039/4885KCNH2 1407/4885

“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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