SCHEMBL7678834

SCHEMBL7678834

O=C(O)Cc1ccc(C(=O)c2ccc(Cl)cc2)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ SRD5A2 P31213 2/20 0.46
▸ ABCB11 O95342 1/20 0.43
▸ PTGS2 P35354 1/20 0.43
▸ MAPK1 P28482 1/20 0.42
▸ ALOX15 P16050 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ NR4A1 P22736 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ FABP2 P12104 1/20 0.39
▸ PPARG P37231 1/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ SLC22A12 Q96S37 1/20 0.39
▸ HTT P42858 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
SCHEMBL11814720 0.86 SIRT1 (0.47) HPGDMAPTSRD5A2MAPK1KMT2A
SCHEMBL7678571 0.85 SRD5A2 (0.46) HPGDSRD5A2TSHRKMT2AMEN1
SCHEMBL7674517 0.84 LTA4H (0.43) HPGDSRD5A2NPC1RAB9AHSD17B10
SCHEMBL1764282 0.84 ALDH1A1 (0.47) HPGDMAPTSRD5A2PTGS2KMT2A
SCHEMBL11815696 0.83 MMP1 (0.43) HPGDMAPTSRD5A2MAPK1KMT2A
SCHEMBL8729528 0.83 LMNA (0.47) HPGDMAPTSRD5A2MAPK1TSHR
SCHEMBL11810726 0.82 HPGD (0.47) HPGDMAPTSRD5A2PTGS2MAPK1
SCHEMBL7676938 0.81 MAPT (0.52) HPGDMAPTSRD5A2MAPK1TSHR
SCHEMBL7678876 0.80 HPGD (0.41) HPGDMAPTSRD5A2ABCB11PTGS2
SCHEMBL7685508 0.79 L3MBTL1 (0.52) MAPTSRD5A2MAPK1TSHRKMT2A

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 HPGD 363/4885MAPT 4570/4885SRD5A2 223/4885

“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.

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