SCHEMBL23451691

SCHEMBL23451691

CC1(C)COc2ccc(-c3nnco3)cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 16/20 1.00
▸ KDM4E B2RXH2 2/20 0.56
▸ LMNA P02545 2/20 0.56
▸ ALDH1A1 P00352 2/20 0.46
▸ HPGD P15428 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ MAPT P10636 1/20 0.40
▸ HTT P42858 1/20 0.40

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
SCHEMBL21776892 0.76 NOTUM (0.61) NOTUMKDM4EALDH1A1MAPT
SCHEMBL17694561 0.68 NOTUM (0.78) NOTUMKDM4ELMNAALDH1A1HPGD
SCHEMBL720137 0.68 NOTUM (0.50) NOTUMALDH1A1MAPT
SCHEMBL18429566 0.67 NOTUM (0.50) NOTUM
SCHEMBL2631356 0.66 NOTUM (0.49) NOTUM
SCHEMBL16178963 0.66 NOTUM (0.49) NOTUMKDM4ELMNAALDH1A1MAPK1
SCHEMBL16258580 0.66 NOTUM (0.63) NOTUMKDM4ELMNAALDH1A1HPGD
SCHEMBL11652205 0.66 NOTUM (0.53) NOTUMKDM4ELMNAALDH1A1HPGD
SCHEMBL8982307 0.66 NOTUM (0.49) NOTUMKDM4EALDH1A1MAPT
SCHEMBL3421790 0.66 NOTUM (0.49) NOTUM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11634391-B2 Compounds which are inhibitors of Notum UCL BUSINESS LTD (GB) 2023-04-25 — — US disclosed
US-20210171475-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2021-06-10 — — US 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 (2 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-11634391-B2 Compounds which are inhibitors of Notum NOTUM, GOT2, GOT1 NOTUM 1/4885KDM4E 3907/4885LMNA 2507/4885
US-20210171475-A1 COMPOUNDS GOT2, GOT1, OAT NOTUM 5/4885KDM4E 4149/4885LMNA 1919/4885

“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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