SCHEMBL29376264

SCHEMBL29376264

FC(F)(F)Oc1ccc(-c2nnco2)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.58
NOTUM Q6P988 10/20 0.58
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
LMNA P02545 2/20 0.50
HTT P42858 2/20 0.50
TSHR P16473 1/20 0.50
HPGD P15428 1/20 0.50
KMT2A Q03164 1/20 0.48
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL14576359 0.87 TLR8 (0.55) TLR8NOTUMNPC1RAB9AL3MBTL1
SCHEMBL17694561 0.79 NOTUM (0.78) TLR8NOTUMLMNAHTTTSHR
SCHEMBL12897340 0.79 TLR8 (0.44) TLR8NOTUMNPC1RAB9AL3MBTL1
SCHEMBL12897337 0.79 TLR8 (0.44) TLR8NOTUMNPC1RAB9AL3MBTL1
SCHEMBL4422718 0.78 TLR8 (0.56) TLR8NOTUMNPC1RAB9AL3MBTL1
SCHEMBL2610163 0.77 NOTUM (0.75) TLR8NOTUMLMNAHTTTSHR
SCHEMBL6408072 0.77 NOTUM (0.65) TLR8NOTUMLMNAHTTHPGD
SCHEMBL3088683 0.77 TLR8 (0.64) TLR8NOTUMNPC1RAB9AL3MBTL1
SCHEMBL4581181 0.77 NOTUM (0.65) TLR8NOTUMNPC1RAB9AL3MBTL1
SCHEMBL27967176 0.76 TLR8 (0.58) TLR8NOTUMNPC1RAB9AL3MBTL1

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
US-11634391-B2 Compounds which are inhibitors of Notum UCL BUSINESS LTD (GB) 2023-04-25 US disclosed
CN-111285850-B Isoindoline compounds, preparation method thereof, pharmaceutical composition and application thereof 中国科学院上海药物研究所 2022-04-22 CN disclosed
US-20220041578-A1 ISOINDOLINE COMPOUND, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION OF ISOINDOLINE COMPOUND SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2022-02-10 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 TLR8 4095/4885NOTUM 1/4885NPC1 51/4885
US-20220041578-A1 ISOINDOLINE COMPOUND, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION OF ISOINDOLINE COMPOUND CRBN, CUL4B, UBQLN1 TLR8 2921/4885NOTUM 4254/4885NPC1 2554/4885

“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.