SCHEMBL29687246

SCHEMBL29687246

O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1ccc(=O)n(-c2cccnc2Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 18/20 0.47
▸ TRPV1 Q8NER1 1/20 0.45
▸ MEN1 O00255 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL23091646 1.00 ABL1 (0.47) ABL1TRPV1MEN1HTTKMT2A
SCHEMBL24850296 0.90 ABL1 (0.52) ABL1TRPV1
SCHEMBL23091819 0.84 MEN1 (0.47) ABL1MEN1HTTKMT2ASMN1; SMN2
SCHEMBL23091728 0.84 ABL1 (0.45) ABL1TRPV1
SCHEMBL29687481 0.84 ABL1 (0.45) ABL1TRPV1
SCHEMBL23091699 0.83 ABL1 (0.45) ABL1TRPV1
SCHEMBL23091720 0.82 ABL1 (0.46) ABL1TRPV1
SCHEMBL29687463 0.82 ABL1 (0.46) ABL1TRPV1
SCHEMBL23091643 0.82 ABL1 (0.51) ABL1KMT2A
SCHEMBL29687226 0.82 ABL1 (0.51) ABL1KMT2A

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 ABL1 2/4885TRPV1 1085/4885MEN1 2728/4885

“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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