SCHEMBL29379232

SCHEMBL29379232

[2H]c1cn(-c2ccc(OC(F)(F)F)cc2)nn1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 5/20 0.42
▸ GRIN1 Q05586 5/20 0.42
▸ GRIN2B Q13224 5/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ NOTUM Q6P988 4/20 0.39
▸ CYP19A1 P11511 1/20 0.38
▸ SCN5A Q14524 3/20 0.36
▸ FLT1 P17948 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 1/20 0.34

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
SCHEMBL16102370 0.83 NOTUM (0.58) RXRAGRIN1GRIN2BL3MBTL1POLB
SCHEMBL29378354 0.83 NOTUM (0.47) RXRAGRIN1GRIN2BNOTUM
SCHEMBL31588577 0.78 NOTUM (0.45) NOTUM
SCHEMBL6276669 0.73 KMT2A (0.54) POLBNOTUMSCN5A
SCHEMBL31465996 0.72 HTT (0.47) RXRAGRIN1GRIN2BL3MBTL1POLB
SCHEMBL29378534 0.72 MAPT (0.50) NOTUMCYP19A1
SCHEMBL29379236 0.71 NOTUM (0.47) L3MBTL1NOTUMMAOA
SCHEMBL16556797 0.70 NOTUM (0.53) RXRAGRIN1GRIN2BL3MBTL1POLB
SCHEMBL28266420 0.69 RXRA (0.43) RXRAGRIN1GRIN2BL3MBTL1POLB
SCHEMBL8087729 0.69 RXRA (0.40) RXRAGRIN1GRIN2BL3MBTL1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 RXRA 2289/4885GRIN1 1627/4885GRIN2B 1113/4885

“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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