SCHEMBL21776892

SCHEMBL21776892

CC1(C)COc2ccc(-c3nnc(O)o3)cc21

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 3/20 0.61
▸ KDM4E B2RXH2 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ METAP2 P50579 8/20 0.38
▸ RARB P10826 2/20 0.38
▸ RARG P13631 2/20 0.38
▸ RARA P10276 1/20 0.38
▸ SNCA P37840 1/20 0.38
▸ PTGS1 P23219 1/20 0.38
▸ PTGS2 P35354 1/20 0.38

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
SCHEMBL21777035 0.77 NOTUM (0.63) NOTUMMETAP2PTGS1PTGS2
SCHEMBL28093367 0.76 NOTUM (0.55) NOTUMRARBRARGRARAPTGS1
SCHEMBL23451691 0.76 NOTUM (1.00) NOTUMKDM4EALDH1A1MAPT
SCHEMBL23451975 0.73 METAP2 (0.63) NOTUMNPC1RAB9ASMN1; SMN2METAP2
SCHEMBL21776977 0.73 NOTUM (0.47) NOTUMSNCA
SCHEMBL30412738 0.73 NOTUM (0.47) NOTUMSNCA
SCHEMBL8982307 0.72 NOTUM (0.49) NOTUMKDM4EALDH1A1MAPTRARB
SCHEMBL28093368 0.71 NOTUM (0.50) NOTUMNPC1ALDH1A1MAPTRAB9A
SCHEMBL18429566 0.69 NOTUM (0.50) NOTUMRARBRARGRARAPTGS1
SCHEMBL23451538 0.68 NOTUM (0.57) NOTUMKDM4ENPC1ALDH1A1MAPT

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 5 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
EP-3843844-A1 COMPOUNDS UCL Business Ltd (GB) 2021-07-07 — — EP disclosed
US-20210171475-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2021-06-10 — — US disclosed
US-20210171475-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2021-06-10 — — US disclosed
WO-2020043866-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2020-03-05 — — 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 (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 3907/4885NPC1 51/4885
US-20210171475-A1 COMPOUNDS GOT2, GOT1, OAT NOTUM 5/4885KDM4E 4149/4885NPC1 7/4885

“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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