SCHEMBL7678876

SCHEMBL7678876

Cc1ccc(C(=O)c2ccc(CC(=O)O)[nH]2)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.41
▸ SLC6A2 P23975 2/20 0.39
▸ SLC6A4 P31645 2/20 0.39
▸ SLC6A3 Q01959 2/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ ABCB11 O95342 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CHRNA1 P02708 1/20 0.37
▸ CHRNG P07510 1/20 0.37
▸ CHRNB1 P11230 1/20 0.37
▸ CHRNB2 P17787 1/20 0.37
▸ CHRNB4 P30926 1/20 0.37
▸ CHRNA3 P32297 1/20 0.37
▸ CHRNA4 P43681 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
SCHEMBL7678834 0.80 HPGD (0.48) HPGDABCB11PTGS2ALOX15MAPT
SCHEMBL1764282 0.80 ALDH1A1 (0.47) HPGDPTGS2ALDH1A1MAPTMEN1
SCHEMBL7678571 0.75 SRD5A2 (0.46) HPGDALDH1A1MEN1KMT2ASRD5A2
SCHEMBL7676938 0.74 MAPT (0.52) HPGDALDH1A1MAPTMEN1KMT2A
SCHEMBL7674517 0.74 LTA4H (0.43) HPGDALDH1A1SRD5A2PTGDR2
SCHEMBL2924706 0.74 HPGD (0.54) HPGDSLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL8729528 0.73 LMNA (0.47) HPGDMAPTMEN1KMT2ALMNA
SCHEMBL7685508 0.72 L3MBTL1 (0.52) ALDH1A1MAPTMEN1KMT2ASRD5A2
SCHEMBL11295460 0.71 FFAR1 (0.43) HPGDPTGS2ALDH1A1MAPTMEN1
SCHEMBL13176761 0.70 ATM (0.55) HPGDALDH1A1MAPTMEN1KMT2A

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 363/4885SLC6A2 4555/4885SLC6A4 4341/4885

“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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