SCHEMBL22343934

SCHEMBL22343934

CCOc1ccc(-c2noc(N3CC[CH]CC3)n2)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ MAPT P10636 9/20 0.58
▸ GAA P10253 1/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ THRB P10828 1/20 0.55
▸ NPC1 O15118 3/20 0.53
▸ HSD17B10 Q99714 3/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ HPGD P15428 2/20 0.52
▸ LMNA P02545 2/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ S1PR1 P21453 6/20 0.50
▸ S1PR3 Q99500 2/20 0.50
▸ HTT P42858 1/20 0.48
▸ RAB9A P51151 1/20 0.48

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
SCHEMBL26998422 0.87 SMN1; SMN2 (0.58) SMN1; SMN2MAPTGAAMAPK1THRB
SCHEMBL20116655 0.83 SMN1; SMN2 (0.54) SMN1; SMN2MAPTGAAMAPK1THRB
SCHEMBL20116262 0.83 MAPT (0.59) SMN1; SMN2MAPTGAAMAPK1THRB
SCHEMBL20117011 0.82 MAPT (0.61) SMN1; SMN2MAPTGAAMAPK1THRB
SCHEMBL26998415 0.81 MAPT (0.53) SMN1; SMN2MAPTGAAMAPK1THRB
SCHEMBL20116601 0.79 MAPT (0.57) SMN1; SMN2MAPTMAPK1THRBNPC1
SCHEMBL20116597 0.77 MAPT (0.67) SMN1; SMN2MAPTGAAMAPK1THRB
SCHEMBL30506255 0.77 MAPT (0.67) SMN1; SMN2MAPTGAAMAPK1THRB
SCHEMBL20116544 0.76 SMN1; SMN2 (0.73) SMN1; SMN2MAPTMAPK1NPC1HSD17B10
SCHEMBL20116543 0.76 SMN1; SMN2 (0.73) SMN1; SMN2MAPTMAPK1NPC1HSD17B10

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
CN-117777121-A Compounds and uses thereof 詹森药业有限公司 2024-03-29 — — CN disclosed
CN-110099898-B Compounds and uses thereof 优曼尼蒂治疗公司 2023-07-25 — — CN disclosed
US-20200262828-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2020-08-20 — — 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-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 SMN1; SMN2 13/4885MAPT 22/4885GAA 67/4885

“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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