SCHEMBL13536799

SCHEMBL13536799

C=C(C)Nc1ccc(CC(C)=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.46
POLB P06746 3/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
KDM4E B2RXH2 1/20 0.42
TSHR P16473 1/20 0.42
NLRP3 Q96P20 1/20 0.42
LMNA P02545 2/20 0.41
HSD17B10 Q99714 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
HTT P42858 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
FFAR1 O14842 1/20 0.41
EPHX2 P34913 1/20 0.40

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
SCHEMBL12153091 0.87 MEN1 (0.57) GAAPOLBSMN1; SMN2KMT2AMEN1
SCHEMBL7148287 0.84 SMN1; SMN2 (0.59) POLBSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL8237577 0.79 ALDH1A1 (0.56) GAAPOLBSMN1; SMN2KMT2AMEN1
SCHEMBL8403545 0.78 POLB (0.61) GAAPOLBKMT2AALDH1A1TSHR
SCHEMBL19825999 0.78 SMN1; SMN2 (0.46) POLBSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL7517494 0.78 KMT2A (0.54) GAAPOLBSMN1; SMN2KMT2AMEN1
SCHEMBL21386360 0.78 SRC (0.52) GAAPOLBSMN1; SMN2KMT2AMEN1
SCHEMBL10131962 0.78 POLB (0.48) GAAPOLBSMN1; SMN2KMT2AMEN1
SCHEMBL14495580 0.77 POLB (0.52) GAAPOLBKMT2AALDH1A1TSHR
SCHEMBL13514007 0.77 PTPN1 (0.56) POLBSMN1; SMN2KMT2AMEN1ALDH1A1

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-7652014-B2 effective in radiosensitizing (hypoxic) tumor cells and effective in preventing tumor cells from recovering from potentially lethal and sublethal damage of DNA after radiation therapy; minimal side effects JANSSEN PHARMACEUTICA (BE) 2010-01-26 US disclosed
US-7652014-B2 effective in radiosensitizing (hypoxic) tumor cells and effective in preventing tumor cells from recovering from potentially lethal and sublethal damage of DNA after radiation therapy; minimal side effects JANSSEN PHARMACEUTICA (BE) 2010-01-26 US disclosed
US-20090042881-A1 SUBSTITUTED 6-CYCLOHEXYLALKYL SUBSTITUTED 2-QUINOLINONES AND 2-QUINOXALINONES AS POLY(ADP-RIBOSE) POLYMERASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2009-02-12 US disclosed
US-20090042881-A1 SUBSTITUTED 6-CYCLOHEXYLALKYL SUBSTITUTED 2-QUINOLINONES AND 2-QUINOXALINONES AS POLY(ADP-RIBOSE) POLYMERASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2009-02-12 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-20090042881-A1 SUBSTITUTED 6-CYCLOHEXYLALKYL SUBSTITUTED 2-QUINOLINONES AND 2-QUINOXALINONES AS POLY(ADP-RIBOSE) POLYMERASE INHIBITORS PARP1, PARP2, PARP3 GAA 1075/4885POLB 45/4885SMN1; SMN2 3061/4885

“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.