SCHEMBL7678595

SCHEMBL7678595

Cc1c2c(n(C)c1C(=O)c1ccc([N+](=O)[O-])cc1)CC(=O)O2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
ALDH1A1 P00352 5/20 0.41
TDP1 Q9NUW8 2/20 0.41
SRD5A2 P31213 1/20 0.40
LMNA P02545 4/20 0.39
HTT P42858 2/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
POLB P06746 1/20 0.37
HPGD P15428 2/20 0.37
CES1 P23141 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
HRH2 P25021 1/20 0.37
HTR1D P28221 1/20 0.37
HTR2A P28223 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
SCHEMBL7674670 0.83 ABCB11 (0.41) MAPTALDH1A1TDP1SRD5A2LMNA
SCHEMBL7678284 0.75 MAPT (0.42) MAPTALDH1A1TDP1SRD5A2LMNA
SCHEMBL7678442 0.69 MAPT (0.39) MAPTALDH1A1TDP1LMNAPOLB
SCHEMBL975118 0.65 SRD5A2 (0.83) MAPTALDH1A1TDP1SRD5A2LMNA
SCHEMBL10723714 0.65 SRD5A2 (0.83) MAPTALDH1A1TDP1SRD5A2LMNA
SCHEMBL11818980 0.64 ABCB11 (0.54) MAPTALDH1A1TDP1SRD5A2LMNA
SCHEMBL418856 0.64 ACHE (0.72) MAPTALDH1A1TDP1SRD5A2LMNA
SCHEMBL7678859 0.63 PTGS2 (0.69) MAPTALDH1A1TDP1SRD5A2LMNA
SCHEMBL31040279 0.61 HTT (0.63) MAPTALDH1A1TDP1SRD5A2LMNA
SCHEMBL18241758 0.61 TDP1 (0.51) MAPTALDH1A1TDP1SRD5A2LMNA

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 MAPT 4570/4885ALDH1A1 208/4885TDP1 925/4885

“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.