SCHEMBL7674645

SCHEMBL7674645

Cn1c(CC#N)ccc1C(=O)c1cccs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.46
HPGDS O60760 1/20 0.41
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 6/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HPGD P15428 3/20 0.39
TSHR P16473 1/20 0.39
MELK Q14680 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
HTT P42858 1/20 0.38
ALOX15 P16050 1/20 0.38
DAO P14920 1/20 0.38
CTSL P07711 1/20 0.38

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
SCHEMBL7684987 0.80 PTGS1 (0.57) PGRHPGDSMAPTSMN1; SMN2ALDH1A1
SCHEMBL11809650 0.79 CXCL8 (0.43) PGRHPGDSMAPTSMN1; SMN2ALDH1A1
SCHEMBL7683436 0.78 CXCL8 (0.51) PGRMAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL11809633 0.78 DAO (0.40) MAPTSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL11446810 0.78 BDKRB2 (0.43) PGRHPGDSMAPTSMN1; SMN2ALDH1A1
SCHEMBL11808026 0.77 PGR (0.46) PGRHPGDSMAPTSMN1; SMN2ALDH1A1
SCHEMBL17486809 0.77 BDKRB2 (0.47) PGRHPGDSMAPTSMN1; SMN2ALDH1A1
SCHEMBL11446809 0.76 HPGD (0.42) PGRHPGDSMAPTSMN1; SMN2ALDH1A1
SCHEMBL7682180 0.75 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1RAB9ALMNAMEN1
SCHEMBL17486805 0.75 BDKRB2 (0.49) PGRHPGDSMAPTSMN1; SMN2ALDH1A1

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 PGR 397/4885HPGDS 164/4885MAPT 4570/4885

“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.