SCHEMBL8074446

SCHEMBL8074446

COc1nc2cc(C=O)ccc2cc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.43
TSHR P16473 1/20 0.43
AOX1 Q06278 1/20 0.40
TRIM24 O15164 1/20 0.40
HPGD P15428 1/20 0.40
ALDH5A1 P51649 1/20 0.40
ABAT P80404 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TRIM33 Q9UPN9 1/20 0.40
CYP2A6 P11509 4/20 0.39
TTR P02766 1/20 0.39
FDPS P14324 1/20 0.38
GAA P10253 3/20 0.36
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A3 P47895 2/20 0.35

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
SCHEMBL31571103 0.81 ALDH1A1 (0.41) ALDH1A1TSHRAOX1TRIM24HPGD
SCHEMBL8077531 0.81 ALDH1A1 (0.41) ALDH1A1TSHRAOX1TRIM24HPGD
SCHEMBL11234082 0.80 ALDH1A1 (0.48) ALDH1A1TSHRAOX1TRIM24HPGD
SCHEMBL31273887 0.78 ALDH1A1 (0.44) ALDH1A1TSHRAOX1TRIM24HPGD
SCHEMBL13597758 0.78 CYP1A2 (0.48) ALDH1A1TSHRCYP2A6GAACYP1A2
SCHEMBL379575 0.75 BACE1 (0.43) TDP1CYP1A2CYP2C19
SCHEMBL16772270 0.74 CYP2A6 (0.45) ALDH1A1TSHRHPGDCYP2A6KDM4E
SCHEMBL8148257 0.73 CYP2A6 (0.44) ALDH1A1HPGDTDP1CYP2A6GAA
SCHEMBL167603 0.72 TDP1 (0.55) ALDH1A1TSHRHPGDTDP1GAA
SCHEMBL17657687 0.72 CYP1A2 (0.55) CYP2A6CYP1A2KDM4E

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-8404713-B2 Quinolinone derivatives as PARP inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-03-26 US disclosed
US-8404713-B2 Quinolinone derivatives as PARP inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-03-26 US disclosed
US-20100222348-A1 QUINOLINONE DERIVATIVES AS PARP INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-09-02 US disclosed
US-20100222348-A1 QUINOLINONE DERIVATIVES AS PARP INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-09-02 US disclosed
WO-2009053373-A1 QUINOLINONE DERIVATIVES AS PARP INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2009-04-30 WO 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-20100222348-A1 QUINOLINONE DERIVATIVES AS PARP INHIBITORS PARP1, PARP2, PARP11 ALDH1A1 939/4885TSHR 3767/4885AOX1 2712/4885

“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.