SCHEMBL2817545

SCHEMBL2817545

COc1ccc(C(=O)Nc2cccc(C3(C#N)CC3)c2)cc1OC

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.71
RAB9A P51151 5/20 0.71
KMT2A Q03164 5/20 0.71
MEN1 O00255 4/20 0.71
POLB P06746 4/20 0.60
ALDH1A1 P00352 3/20 0.60
L3MBTL1 Q9Y468 1/20 0.56
LMNA P02545 3/20 0.56
NQO2 P16083 1/20 0.53
CASP3 P42574 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
TP53 P04637 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MAPT P10636 4/20 0.51
KDM4E B2RXH2 2/20 0.51
PKM P14618 2/20 0.50
PDE5A O76074 1/20 0.50
PDE1A P54750 1/20 0.50
PDE1B Q01064 1/20 0.50
PDE1C Q14123 1/20 0.50

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
SCHEMBL2816268 0.96 KMT2A (0.78) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL2815619 0.87 KMT2A (0.91) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL2190481 0.85 NPC1 (0.60) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL2816518 0.83 KMT2A (1.00) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL2816720 0.82 KMT2A (0.98) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL2191722 0.80 RAB9A (0.55) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL2817099 0.80 LMNA (0.60) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL2814688 0.78 POLB (0.58) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL2851289 0.78 MEN1 (0.61) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL2855650 0.78 MEN1 (0.52) NPC1RAB9AKMT2AMEN1POLB

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-20100249123-A1 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE ADDEX PHARMA SA (CH) 2010-09-30 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-20100249123-A1 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE FSHR, GNRHR, SHBG NPC1 3400/4885RAB9A 1404/4885KMT2A 1767/4885

“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.