SCHEMBL23091708

SCHEMBL23091708

O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1ccc(=O)n(-c2ccc(F)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 3/20 0.47
▸ ABL1 P00519 10/20 0.46
▸ MAPT P10636 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ PTPN1 P18031 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
SCHEMBL23091681 0.90 ABL1 (0.47) TRPV1ABL1ALDH1A1
SCHEMBL23091719 0.90 RAB9A (0.50) TRPV1ABL1MAPTALDH1A1NPC1
SCHEMBL23091701 0.90 TRPV1 (0.48) TRPV1ABL1MAPTALDH1A1NPC1
SCHEMBL29687786 0.89 MAPT (0.46) TRPV1ABL1MAPT
SCHEMBL23091767 0.89 MAPT (0.46) TRPV1ABL1MAPT
SCHEMBL29687788 0.88 ABL1 (0.48) TRPV1ABL1ALDH1A1
SCHEMBL23091652 0.88 ABL1 (0.48) TRPV1ABL1ALDH1A1
SCHEMBL23091780 0.86 ABL1 (0.57) ABL1
SCHEMBL23091721 0.86 F10 (0.43) TRPV1ABL1MAPTALDH1A1NPC1
SCHEMBL29687487 0.86 ABL1 (0.57) 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 8 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
CN-114502544-A Novel compounds and methods 博善人工智能生物科技有限公司 2022-05-13 — — CN 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
CN-114502544-A Novel compounds and methods 博善人工智能生物科技有限公司 2022-05-13 — — CN 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 TRPV1 1085/4885ABL1 2/4885MAPT 23/4885

“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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