SCHEMBL29378377

SCHEMBL29378377

OCCc1ccc(-n2ccnn2)cc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 11/20 0.55
CYP19A1 P11511 1/20 0.47
BRS3 P32247 1/20 0.46
KEAP1 Q14145 1/20 0.41
CA2 P00918 1/20 0.41
TDP1 Q9NUW8 1/20 0.38
USP1 O94782 3/20 0.37
WDR48 Q8TAF3 3/20 0.37
USP7 Q93009 1/20 0.37

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
SCHEMBL6853891 0.90 NOTUM (0.51) NOTUMCYP19A1BRS3KEAP1CA2
SCHEMBL533418 0.85 NOTUM (0.58) NOTUMCYP19A1BRS3KEAP1USP1
SCHEMBL16093330 0.82 NOTUM (0.55) NOTUMCYP19A1BRS3KEAP1TDP1
SCHEMBL12844428 0.82 CYP19A1 (0.59) NOTUMCYP19A1BRS3KEAP1USP1
SCHEMBL6850531 0.82 NOTUM (0.55) NOTUMCYP19A1BRS3KEAP1USP1
SCHEMBL10447781 0.80 NOTUM (0.78) NOTUMCYP19A1BRS3KEAP1
SCHEMBL9756474 0.80 TBXAS1 (0.49) NOTUMCYP19A1BRS3KEAP1
SCHEMBL6877497 0.79 NOTUM (0.60) NOTUMCYP19A1BRS3KEAP1USP1
SCHEMBL4970815 0.79 NOTUM (0.51) NOTUMCYP19A1BRS3KEAP1
SCHEMBL4966052 0.78 NOTUM (0.50) NOTUMCYP19A1BRS3KEAP1

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
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 (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-20220041578-A1 ISOINDOLINE COMPOUND, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION OF ISOINDOLINE COMPOUND CRBN, CUL4B, UBQLN1 NOTUM 4254/4885CYP19A1 1469/4885BRS3 3861/4885

“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.