SCHEMBL6463843

SCHEMBL6463843

CC(C)(N)C(O)c1nc2ccccc2o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
ALDH1A1 P00352 4/20 0.40
KMT2A Q03164 3/20 0.40
NPC1 O15118 5/20 0.40
MAPT P10636 4/20 0.40
TNF P01375 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.39
MEN1 O00255 2/20 0.38
ATM Q13315 1/20 0.38
PSMB8 P28062 1/20 0.38
LMNA P02545 2/20 0.37
GAA P10253 2/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
TP53 P04637 2/20 0.37
HPGD P15428 2/20 0.36
DDAH1 O94760 1/20 0.36
ADRA2C P18825 1/20 0.36
HDAC3 O15379 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
SCHEMBL10480315 0.78 MAPT (0.46) RAB9ASMN1; SMN2ALDH1A1KMT2ANPC1
SCHEMBL3618162 0.77 NPC1 (0.42) RAB9ASMN1; SMN2ALDH1A1NPC1MAPT
SCHEMBL5735586 0.75 LMNA (0.43) RAB9AALDH1A1KMT2ANPC1MAPT
SCHEMBL5519573 0.75 LMNA (0.43) RAB9AALDH1A1KMT2ANPC1MAPT
SCHEMBL16492736 0.75 LMNA (0.43) RAB9AALDH1A1KMT2ANPC1MAPT
SCHEMBL5519576 0.75 LMNA (0.43) RAB9AALDH1A1KMT2ANPC1MAPT
SCHEMBL17898133 0.75 MAPT (0.43) RAB9ASMN1; SMN2ALDH1A1KMT2ANPC1
Hydrochloric Acid SCHEMBL5729573 0.74 ALDH1A1 (0.44) RAB9AALDH1A1KMT2ANPC1MAPT
Hydrochloric Acid SCHEMBL5729571 0.74 ALDH1A1 (0.44) RAB9AALDH1A1KMT2ANPC1MAPT
SCHEMBL8069919 0.74 MAPT (0.46) RAB9ASMN1; SMN2ALDH1A1KMT2ANPC1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1516877-A1 Amine derivatives as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-03-23 EP disclosed
US-20030232864-A1 Novel Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-12-18 US disclosed
US-6576630-B1 Alkanoyl substituted benzooxazoles or naphthooxazoles AXYS PHARMACEUTICALS, INC. 2003-06-10 US disclosed
EP-1161422-A1 AMINE DERIVATIVES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-12-12 EP disclosed
WO-2000055144-A1 AMINE DERIVATIVES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-09-21 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-20030232864-A1 Novel Compounds and compositions as protease inhibitors SERPINB1, CTRL, CTSZ RAB9A 1895/4885SMN1; SMN2 4034/4885ALDH1A1 3027/4885

“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.