SCHEMBL3500997

SCHEMBL3500997

CCOC(=O)C(=O)Nc1cc(-c2ccc(C)cc2)n(C2CCCCO2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 1/20 0.39
POLQ O75417 1/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
KDM4E B2RXH2 4/20 0.37
MAPT P10636 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
FAAH O00519 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPK1 P28482 1/20 0.36
HPGD P15428 3/20 0.36
PTPN1 P18031 1/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36

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
SCHEMBL3501014 0.88 RXRA (0.41) RAB9ANPC1ALDH1A1SMN1; SMN2POLQ
SCHEMBL3501367 0.85 ADORA3 (0.40) RAB9ANPC1ALDH1A1SMN1; SMN2POLQ
SCHEMBL3501076 0.82 NPC1 (0.39) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL13312302 0.80 HDAC3 (0.42) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL3500534 0.78 P2RY14 (0.38) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL3501258 0.78 NPC1 (0.37) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL13283574 0.77 NPC1 (0.36) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL3501716 0.77 FAAH (0.40) RAB9ANPC1ALDH1A1SMN1; SMN2POLQ
SCHEMBL3501950 0.75 NPC1 (0.35) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL3500073 0.75 SMN1; SMN2 (0.46) RAB9ANPC1ALDH1A1SMN1; SMN2RXRA

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-20100144793-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS AC IMMUNE SA (CH) 2010-06-10 US disclosed
EP-2121619-A2 COMPOUNDS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS AC Immune S.A. (CH) 2009-11-25 EP disclosed
WO-2008061796-A2 COMPOUNDS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS AC IMMUNE SA (CH) 2008-05-29 WO 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-20100144793-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS APP, BACE1, APBA1 RAB9A 3201/4885NPC1 161/4885ALDH1A1 1974/4885

“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.