SCHEMBL16102370

SCHEMBL16102370

FC(F)(F)Oc1ccc(-n2ccnn2)cc1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 12/20 0.58
▸ CYP19A1 P11511 1/20 0.54
▸ RXRA P19793 5/20 0.47
▸ GRIN1 Q05586 5/20 0.47
▸ GRIN2B Q13224 5/20 0.47
▸ KEAP1 Q14145 1/20 0.44
▸ POLB P06746 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL29379232 0.83 RXRA (0.42) NOTUMCYP19A1RXRAGRIN1GRIN2B
SCHEMBL29471936 0.82 NOTUM (0.65) NOTUMRXRAGRIN1GRIN2BKEAP1
SCHEMBL28266369 0.82 NOTUM (0.65) NOTUMRXRAGRIN1GRIN2BKEAP1
SCHEMBL10447781 0.79 NOTUM (0.78) NOTUMCYP19A1KEAP1
SCHEMBL28166936 0.77 NOTUM (0.67) NOTUMCYP19A1KEAP1L3MBTL1
SCHEMBL16556797 0.76 NOTUM (0.53) NOTUMRXRAGRIN1GRIN2BPOLB
SCHEMBL28071272 0.76 NOTUM (0.58) NOTUMCYP19A1RXRAGRIN1GRIN2B
SCHEMBL6276669 0.76 KMT2A (0.54) NOTUMPOLB
SCHEMBL29084891 0.75 NOTUM (0.65) NOTUMCYP19A1KEAP1
SCHEMBL21777006 0.74 NOTUM (1.00) NOTUMCYP19A1KEAP1

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
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
CN-105524058-B Pyrazolo [1,5 a] pyridine compounds and their and its application 广州艾格生物科技有限公司 2018-03-27 — — CN disclosed
EP-2967073-A1 LXR MODULATORS Bristol-Myers Squibb Company (US) 2016-01-20 — — EP disclosed
WO-2014152738-A1 LXR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-25 — — 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-20220041578-A1 ISOINDOLINE COMPOUND, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION OF ISOINDOLINE COMPOUND CRBN, CUL4B, UBQLN1 NOTUM 4254/4885CYP19A1 1469/4885RXRA 2289/4885

“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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