SCHEMBL20848006

SCHEMBL20848006

Cc1cccc(NC(=O)c2ccc3ccccc3c2)c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.78
RAB9A P51151 8/20 0.78
KMT2A Q03164 7/20 0.78
MEN1 O00255 6/20 0.78
L3MBTL1 Q9Y468 1/20 0.78
RXFP1 Q9HBX9 1/20 0.71
KCNK3 O14649 6/20 0.67
KCNK9 Q9NPC2 4/20 0.67
KCNH2 Q12809 1/20 0.67
POLB P06746 1/20 0.66
SMN1; SMN2 Q16637 2/20 0.65
TP53 P04637 1/20 0.65
NFKB1 P19838 1/20 0.65
NFKB2 Q00653 1/20 0.65
RELA Q04206 1/20 0.65
DEGS1 O15121 1/20 0.61
CASP3 P42574 1/20 0.61
SENP7 Q9BQF6 1/20 0.61
KDM4E B2RXH2 1/20 0.60
ALDH1A1 P00352 1/20 0.59

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
SCHEMBL15599962 0.94 MEN1 (0.84) NPC1RAB9AKMT2AMEN1L3MBTL1
SCHEMBL13220719 0.88 MEN1 (0.68) NPC1RAB9AKMT2AMEN1L3MBTL1
SCHEMBL15599961 0.84 MEN1 (0.78) NPC1RAB9AKMT2AMEN1L3MBTL1
SCHEMBL12447826 0.84 NPC1 (0.82) NPC1RAB9AKMT2AMEN1L3MBTL1
SCHEMBL2467402 0.84 PLAU (0.78) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL4253897 0.84 KCNK3 (0.93) NPC1RAB9AKMT2AMEN1L3MBTL1
SCHEMBL7335241 0.84 PLAU (0.62) NPC1RAB9AKMT2AMEN1L3MBTL1
SCHEMBL29068810 0.83 DEGS1 (0.72) NPC1RAB9AKMT2AMEN1L3MBTL1
SCHEMBL22629672 0.82 NPC1 (0.70) NPC1RAB9AKMT2AMEN1L3MBTL1
SCHEMBL8085694 0.82 NPC1 (0.80) NPC1RAB9AKMT2AMEN1RXFP1

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-20190092720-A1 FUNCTIONALIZED BENZAMIDE DERIVATIVES AS ANTIVIRAL AGENTS AGAINST HBV INFECTION BARUCH S BLUMBERG INST (US) 2019-03-28 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-20190092720-A1 FUNCTIONALIZED BENZAMIDE DERIVATIVES AS ANTIVIRAL AGENTS AGAINST HBV INFECTION HAVCR2, PHB2, PHB1 NPC1 539/4885RAB9A 3534/4885KMT2A 2493/4885

“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.