SCHEMBL4831287

SCHEMBL4831287

Cn1ncc(/C=C/C(=O)Nc2ccc(C(C)(C)P(=O)(O)O)cc2)c1-c1ccco1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ RAB9A P51151 9/20 0.38
▸ POLB P06746 8/20 0.38
▸ NPC1 O15118 7/20 0.38
▸ TDP1 Q9NUW8 5/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CCNC P24863 1/20 0.38
▸ CDK8 P49336 1/20 0.38
▸ ALDH1A1 P00352 7/20 0.37
▸ MEN1 O00255 7/20 0.37
▸ KMT2A Q03164 7/20 0.37
▸ SMN1; SMN2 Q16637 4/20 0.37
▸ L3MBTL1 Q9Y468 4/20 0.37
▸ KDM4E B2RXH2 6/20 0.37
▸ LMNA P02545 3/20 0.37
▸ HPGD P15428 3/20 0.37
▸ TRPV1 Q8NER1 1/20 0.36
▸ NAMPT P43490 2/20 0.35
▸ HTT P42858 2/20 0.35

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
SCHEMBL4831309 1.00 MAPT (0.38) MAPTMAPK1RAB9APOLBNPC1
SCHEMBL4831158 0.88 RAB9A (0.37) MAPTMAPK1RAB9APOLBNPC1
SCHEMBL4831143 0.88 RAB9A (0.37) MAPTMAPK1RAB9APOLBNPC1
SCHEMBL4834003 0.85 CCNC (0.46) MAPTMAPK1RAB9APOLBNPC1
SCHEMBL4834023 0.85 CCNC (0.46) MAPTMAPK1RAB9APOLBNPC1
SCHEMBL4836344 0.84 MAPT (0.41) MAPTMAPK1RAB9APOLBNPC1
SCHEMBL4836324 0.84 MAPT (0.41) MAPTMAPK1RAB9APOLBNPC1
SCHEMBL4834031 0.82 HDAC1 (0.41) MAPTMAPK1POLBNPC1TP53
SCHEMBL4834055 0.82 HDAC1 (0.41) MAPTMAPK1POLBNPC1TP53
SCHEMBL4825936 0.81 CCNC (0.41) MAPTMAPK1RAB9APOLBNPC1

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-20080287438-A1 Agent for preventing or treating neuropathy MOMOSE YU 2008-11-20 — — US disclosed
US-7423159-B2 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-09 — — US disclosed
US-20060004069-A1 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-05 — — 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-20060004069-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 MAPT 3203/4885MAPK1 1214/4885RAB9A 4059/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 MAPT 3203/4885MAPK1 1214/4885RAB9A 4059/4885

“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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