SCHEMBL7398285

SCHEMBL7398285

O=C(O)C1CCCCN1c1nc(-c2ccc(N3CCNCC3)cc2)cs1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 10/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 1/20 0.42
BAZ2A Q9UIF9 1/20 0.41
HSD17B10 Q99714 2/20 0.41
AR P10275 1/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
RAB9A P51151 6/20 0.41
NPC1 O15118 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
FFAR2 O15552 1/20 0.40
MAPT P10636 2/20 0.39
MAPKAPK2 P49137 1/20 0.39
POLB P06746 1/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL7573098 0.80 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1MAPK1HSD17B10AR
SCHEMBL7397206 0.76 TACR3 (0.45) SMN1; SMN2ALDH1A1MAPK1RAB9ANPC1
SCHEMBL7401510 0.74 HTR7 (0.53) ALDH1A1MAPK1HSD17B10TP53USP2
SCHEMBL1476361 0.72 KDM4E (0.54) SMN1; SMN2ALDH1A1MAPK1HSD17B10AR
SCHEMBL27318132 0.72 AR (0.67) SMN1; SMN2ALDH1A1MAPK1HSD17B10AR
SCHEMBL4700967 0.71 CTSB (0.49)
SCHEMBL7398443 0.69 CDK5 (0.43)
SCHEMBL7431224 0.69 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1MAPK1HSD17B10AR
SCHEMBL4265897 0.69 HPGDS (0.53) SMN1; SMN2ALDH1A1BAZ2AHSD17B10AR
SCHEMBL13118689 0.69 ADRB1 (0.51) SMN1; SMN2ALDH1A1HSD17B10RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020156063-A1 Arylacetamido-ketobenzoxazole as cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. 2002-10-24 US disclosed
WO-2002080920-A1 ARYLACETAMIDO-KETOBENZOXAZOLE AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-10-17 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-20020156063-A1 Arylacetamido-ketobenzoxazole as cysteine protease inhibitors SERPINB1, SPINT2, PRSS1 SMN1; SMN2 4367/4885ALDH1A1 347/4885MAPK1 2161/4885

“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.