SCHEMBL22026922

SCHEMBL22026922

CNC(=O)C12CCCC(c3ccc(OC)cc3)(CC1)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ LMNA P02545 2/20 0.46
▸ NAAA Q02083 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HSD11B1 P28845 1/20 0.39
▸ PLK1 P53350 1/20 0.39
▸ SLC6A4 P31645 1/20 0.38
▸ SLC6A3 Q01959 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ P2RX7 Q99572 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HPGD P15428 1/20 0.37
▸ MMP1 P03956 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37

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
SCHEMBL22027090 0.95 NAAA (0.47) SMN1; SMN2LMNANAAAALDH1A1KDM4E
SCHEMBL22026882 0.86 LMNA (0.45) SMN1; SMN2LMNANAAAALDH1A1KDM4E
SCHEMBL22027167 0.86 PLK1 (0.45) SMN1; SMN2LMNANAAAALDH1A1KDM4E
SCHEMBL22027046 0.85 ESR1 (0.35) SMN1; SMN2LMNAALDH1A1MAPTSLC6A3
SCHEMBL22027200 0.85 KMT2A (0.45) SMN1; SMN2LMNANAAAALDH1A1KDM4E
SCHEMBL22026957 0.81 NAAA (0.49) SMN1; SMN2LMNANAAAALDH1A1MAPK1
SCHEMBL22026919 0.80 NAAA (0.46) SMN1; SMN2LMNANAAAALDH1A1KDM4E
SCHEMBL22027158 0.79 ESR1 (0.35) SMN1; SMN2LMNANAAAALDH1A1SLC6A3
SCHEMBL22027030 0.79 NAAA (0.44) SMN1; SMN2LMNANAAAMAPTMAPK1
SCHEMBL22027033 0.76 ESR1 (0.37) LMNAALDH1A1MAPTSLC6A3P2RX7

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-20220002309-A1 SSAO INHIBITORS AND USES THEREOF METACRINE, INC. 2022-01-06 — — US disclosed
CN-113226296-A SSAO inhibitors and uses thereof 梅塔科林公司 2021-08-06 — — CN disclosed
US-20200181104-A1 SSAO INHIBITORS AND USES THEREOF METACRINE, INC. 2020-06-11 — — 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-20220002309-A1 SSAO INHIBITORS AND USES THEREOF AOX1, AOC2, MAOA SMN1; SMN2 1556/4885LMNA 1461/4885NAAA 720/4885
US-20200181104-A1 SSAO INHIBITORS AND USES THEREOF AOX1, AOC2, MAOA SMN1; SMN2 1556/4885LMNA 1461/4885NAAA 720/4885

“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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