SCHEMBL7681712

SCHEMBL7681712

Cc1c(C(=O)c2ccc(Cl)cc2)[nH]c2c1OC(=O)C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.37
TP53 P04637 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HTT P42858 3/20 0.35
LMNA P02545 2/20 0.35
SRD5A2 P31213 1/20 0.35
HPGD P15428 3/20 0.35
NPSR1 Q6W5P4 3/20 0.34
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HSD17B10 Q99714 2/20 0.34
USP2 O75604 1/20 0.34
MAPT P10636 5/20 0.33
KMT2A Q03164 3/20 0.33
ATM Q13315 2/20 0.33
MEN1 O00255 2/20 0.33
THRB P10828 1/20 0.33
DNMT1 P26358 1/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL7676801 0.86 ALOX15 (0.35) ALDH1A1HTTLMNASRD5A2HPGD
SCHEMBL7680883 0.70 KMT2A (0.39) MAPK1ALDH1A1HTTLMNASRD5A2
SCHEMBL7674670 0.70 ABCB11 (0.41) MAPK1ALDH1A1HTTLMNASRD5A2
SCHEMBL11042726 0.69 SRD5A2 (0.44) MAPK1HTTSRD5A2HPGDNPSR1
SCHEMBL11049227 0.67 KMT2A (0.47) MAPK1HTTSRD5A2HPGDNPSR1
SCHEMBL11181578 0.66 PDE4A (0.67) MAPK1SRD5A2HPGDNPSR1CES2
SCHEMBL9787361 0.62 PDE4A (0.45) MAPK1HTTSRD5A2HPGDNPSR1
SCHEMBL8604431 0.62 MAPT (0.46) LMNASRD5A2HPGDNPSR1MAPT
SCHEMBL7678013 0.61 HPGD (0.45) MAPK1ALDH1A1LMNASRD5A2HPGD
SCHEMBL11052444 0.61 SRD5A2 (0.46) MAPK1ALDH1A1HTTSRD5A2HPGD

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 4 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

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 MAPK1 1365/4885TP53 4/4885ALDH1A1 208/4885

“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.