SCHEMBL7681018

SCHEMBL7681018

CCOC(=O)Cc1cc(C)c(C(=O)c2ccc([N+](=O)[O-])cc2)n1C

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
ALDH1A1 P00352 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
ABCB11 O95342 1/20 0.51
PTGS2 P35354 1/20 0.51
CYP1A2 P05177 1/20 0.51
TSHR P16473 1/20 0.51
KDM4E B2RXH2 2/20 0.47
MAPT P10636 4/20 0.46
KCNJ1 P48048 1/20 0.44
KCNH2 Q12809 1/20 0.44
RAB9A P51151 2/20 0.43
AR P10275 1/20 0.43
TP53 P04637 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HTT P42858 1/20 0.41

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
SCHEMBL7678859 0.86 PTGS2 (0.69) LMNASMN1; SMN2ALDH1A1TDP1ABCB11
SCHEMBL7674536 0.86 PTGS2 (0.57) LMNASMN1; SMN2ALDH1A1TDP1ABCB11
SCHEMBL7679380 0.85 LMNA (0.44) LMNASMN1; SMN2ALDH1A1TDP1KDM4E
SCHEMBL11817277 0.85 ALDH1A1 (0.52) LMNASMN1; SMN2ALDH1A1TDP1ABCB11
SCHEMBL11818980 0.85 ABCB11 (0.54) LMNASMN1; SMN2ALDH1A1TDP1ABCB11
SCHEMBL7675690 0.83 PTGS2 (0.73) LMNASMN1; SMN2ALDH1A1TDP1ABCB11
SCHEMBL7676885 0.83 PTGS2 (0.55) LMNASMN1; SMN2ALDH1A1TDP1ABCB11
SCHEMBL11810469 0.83 ABCB11 (0.55) LMNASMN1; SMN2ALDH1A1TDP1ABCB11
SCHEMBL11813726 0.83 ALDH1A1 (0.50) LMNASMN1; SMN2ALDH1A1TDP1ABCB11
SCHEMBL7464815 0.83 PTGS2 (0.57) LMNASMN1; SMN2ALDH1A1TDP1ABCB11

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3998844-A WITH AN AROYL CHLORIDE TO FORM A 5-AROYL-1-ALKYLPYRROLE-2-ACETIC ACID DERIVATIVE MCNEIL LABORATORIES, INCORPORATED (US) 1976-12-27 US claimed
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-3998844-A WITH AN AROYL CHLORIDE TO FORM A 5-AROYL-1-ALKYLPYRROLE-2-ACETIC ACID DERIVATIVE MCNEIL LABORATORIES, INCORPORATED (US) 1976-12-27 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 LMNA 2230/4885SMN1; SMN2 2392/4885ALDH1A1 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.