SCHEMBL7683471

SCHEMBL7683471

CCOC(=O)Cc1cc(CC)c(C(=O)c2cccs2)n1CC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.44
TSHR P16473 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPSR1 Q6W5P4 3/20 0.43
HPGD P15428 6/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 3/20 0.41
HSD17B10 Q99714 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
MAPK1 P28482 3/20 0.38
MAPT P10636 3/20 0.38
KDM4E B2RXH2 2/20 0.38
CASP1 P29466 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
CASP7 P55210 1/20 0.38
BAP1 Q92560 1/20 0.38
RXFP1 Q9HBX9 2/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 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
SCHEMBL11811352 0.79 ALDH1A1 (0.46) ALDH1A1TSHRSMN1; SMN2NPSR1HPGD
SCHEMBL7682901 0.77 PTGS2 (0.44) ALDH1A1TSHRSMN1; SMN2RAB9AL3MBTL1
SCHEMBL11814511 0.75 ALDH1A1 (0.48) ALDH1A1TSHRSMN1; SMN2NPSR1HPGD
SCHEMBL11494616 0.68 TSHR (0.57) ALDH1A1TSHRSMN1; SMN2NPSR1HPGD
SCHEMBL7681896 0.67 NOD2 (0.38) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL11181518 0.66 ALDH1A1 (0.40) ALDH1A1TSHRSMN1; SMN2NPSR1HPGD
SCHEMBL11194469 0.66 NPSR1 (0.41) ALDH1A1TSHRSMN1; SMN2NPSR1HPGD
SCHEMBL81392 0.66 ALDH1A1 (0.62) ALDH1A1TSHRSMN1; SMN2NPSR1HPGD
SCHEMBL11814111 0.66 ALDH1A1 (0.47) ALDH1A1TSHRSMN1; SMN2NPSR1HPGD
SCHEMBL21636247 0.66 CNR1 (0.47) ALDH1A1TSHRSMN1; SMN2HPGDNPC1

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
US-6455703-B2 ADMINISTERING EFFECTIVE AMOUNT OF 1,3,6-TRIHYDRO-6-AZA-3-OXAPENTALEN-2-ONE DERIVATIVE TO THE PATIENT FOR INDUCING OR PROMOTING APOPTOSIS AND FOR ARRESTING UNCONTROLLED NEOPLASTIC CELL PROLIFERATION CELL PATHWAYS, INC. 2002-09-24 US disclosed
US-20010051651-A1 1,3,6,-trihydro-6-aza-3-oxapentalen-2-one derivatives for the treatment of neoplasia OSI PHARMACEUTICALS, INC. 2001-12-13 US disclosed
US-6160003-A 1,3,6-trihydro-6-aza-3-oxapentalen-2-one derivatives for the treatment of neoplasia CELL PATHWAYS, INC. (US) 2000-12-12 US disclosed
US-5939417-A 1,3,6-trihydro-6-aza-3-oxapentalen-2-one derivatives for the treatment of neoplasia CELL PATHWAYS INC (US) 1999-08-17 US disclosed
US-3952012-A MULTISTAGE MCNEIL LABORATORIES, INCORPORATED (US) 1976-04-20 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-20010051651-A1 1,3,6,-trihydro-6-aza-3-oxapentalen-2-one derivatives for the treatment of neoplasia MALT1, VHL, CDKN1A ALDH1A1 208/4885TSHR 2892/4885SMN1; SMN2 2392/4885

“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.