SCHEMBL29378534

SCHEMBL29378534

[2H]c1cn(-c2ccc(O)cc2)nn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.50
▸ NOTUM Q6P988 5/20 0.41
▸ ENPP2 Q13822 1/20 0.37
▸ MKNK1 Q9BUB5 1/20 0.37
▸ MKNK2 Q9HBH9 1/20 0.37
▸ MIF P14174 8/20 0.36
▸ CD74 P04233 1/20 0.36
▸ HSD17B1 P14061 1/20 0.36
▸ HSD17B2 P37059 1/20 0.36
▸ CYP19A1 P11511 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ MGLL Q99685 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ CA12 O43570 1/20 0.32

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
SCHEMBL29379236 0.79 NOTUM (0.47) MAPTNOTUMALDH1A1CYP3A4HPGD
SCHEMBL1186707 0.79 NOTUM (0.64) MAPTNOTUMENPP2MKNK1MKNK2
SCHEMBL29378783 0.78 HSD17B1 (0.45) NOTUMHSD17B1HSD17B2MEN1NPC1
SCHEMBL31588577 0.76 NOTUM (0.45) NOTUMTDP1CA12CA1CA2
SCHEMBL29379232 0.72 RXRA (0.42) NOTUMCYP19A1
SCHEMBL31588063 0.67 NOTUM (0.45) MAPTNOTUMHSP90AA1MGLLMEN1
SCHEMBL311636 0.67 MAPT (1.00) MAPTNOTUMTDP1ALDH1A1LMNA
SCHEMBL597553 0.65 HTT (0.56) MAPTENPP2MKNK1MKNK2KDM4E
SCHEMBL28632636 0.63 NOTUM (0.47) MAPTNOTUMKDM4ECA12ALDH1A1
SCHEMBL598184 0.63 NOTUM (0.64) MAPTNOTUMENPP2MKNK1MKNK2

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 MAPT 2876/4885NOTUM 4254/4885ENPP2 3971/4885

“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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