SCHEMBL13065682

SCHEMBL13065682

Nc1cc(C(=O)Nc2cccc(-c3ccoc3)c2)cc(C(=O)Nc2cccc(-c3ccoc3)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.56
KCNK3 O14649 1/20 0.52
KCNK9 Q9NPC2 1/20 0.52
HDAC2 Q92769 1/20 0.52
MAPK14 Q16539 2/20 0.49
SERPINE1 P05121 2/20 0.48
P2RY14 Q15391 1/20 0.47
HDAC1 Q13547 1/20 0.46
F2 P00734 1/20 0.46
PLG P00747 1/20 0.46
PLAU P00749 1/20 0.46
PLAT P00750 1/20 0.46
KLK1 P06870 1/20 0.46
PRSS1 P07477 1/20 0.46
IKBKE Q14164 1/20 0.46
TBK1 Q9UHD2 1/20 0.46
ALOX5 P09917 1/20 0.45
BRAF P15056 1/20 0.45
PPARD Q03181 1/20 0.44
NR1H4 Q96RI1 1/20 0.44

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
SCHEMBL13065987 0.83 ALOX5 (0.62) KCNK3KCNK9HDAC2HDAC1ALOX5
SCHEMBL13065678 0.80 NPC1 (0.57) KCNK3KCNK9PLAUALOX5ADORA3
SCHEMBL13065990 0.80 NPC1 (0.57) KCNK3KCNK9ALOX5PTGS1MAOB
SCHEMBL13023127 0.80 KCNK3 (0.50) KCNK3KCNK9PTGS1MEN1KMT2A
SCHEMBL13065991 0.78 MEN1 (0.59) CNR1KCNK3KCNK9HDAC2ALOX5
SCHEMBL13065674 0.78 KCNK3 (0.55) CNR1KCNK3KCNK9HDAC2HDAC1
SCHEMBL6586091 0.78 KCNK3 (0.78) CNR1KCNK3KCNK9MAPK14ALOX5
SCHEMBL13065670 0.77 BCL9 (0.53) CNR1ALOX5PTGS1ADORA3MEN1
SCHEMBL1016744 0.76 CNR1 (0.63) CNR1KCNK3KCNK9HDAC2MAPK14
SCHEMBL13065659 0.75 ADORA3 (0.72) KCNK3KCNK9HDAC2PLGPLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF FUJIFILM CORPORATION (JP) 2010-11-11 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-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF KAT8, HDAC10, SSRP1 CNR1 1975/4885KCNK3 2940/4885KCNK9 1933/4885

“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.