SCHEMBL13065989

SCHEMBL13065989

Nc1c(C(=O)Nc2cccc(-c3ccccc3)c2)cccc1C(=O)Nc1cccc(-c2ccccc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.62
SMO Q99835 1/20 0.56
ALDH1A1 P00352 3/20 0.55
HTT P42858 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
CHRNB2 P17787 1/20 0.54
CHRNB4 P30926 1/20 0.54
CHRNA3 P32297 1/20 0.54
CHRNA4 P43681 1/20 0.54
SIRT2 Q8IXJ6 1/20 0.54
SIRT1 Q96EB6 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
POLB P06746 2/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ALOX5 P09917 1/20 0.52
CNR1 P21554 1/20 0.51
KDM4E B2RXH2 1/20 0.51
GAA P10253 1/20 0.51

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
SCHEMBL12189468 0.85 ALDH1A1 (0.71) MGLLSMOALDH1A1HTTL3MBTL1
SCHEMBL13023093 0.80 PTPN11 (0.61) ALDH1A1HTTSMN1; SMN2MEN1KMT2A
SCHEMBL21105447 0.80 MEN1 (0.53) MGLLALDH1A1HTTSMN1; SMN2ADORA3
SCHEMBL21105382 0.80 SMO (0.59) MGLLSMOALDH1A1HTTSMN1; SMN2
SCHEMBL20227586 0.80 KCNK3 (0.79) MGLLSIRT1ADORA3POLBMEN1
SCHEMBL13065987 0.79 ALOX5 (0.62) MGLLSIRT1ADORA3POLBMEN1
SCHEMBL6348320 0.78 PARP1 (0.65) MGLLSIRT1ADORA3POLBMEN1
SCHEMBL392794 0.78 ALDH1A1 (0.59) ALDH1A1HTTCHRNB2CHRNB4CHRNA3
SCHEMBL18152289 0.78 MEN1 (0.73) MGLLALDH1A1SIRT1SMN1; SMN2ADORA3
SCHEMBL12189488 0.78 MEN1 (0.58) MGLLSMOALDH1A1HTTL3MBTL1

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 MGLL 3374/4885SMO 2297/4885ALDH1A1 1480/4885

“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.