SCHEMBL5863585

SCHEMBL5863585

COc1ccc(C(=O)NCc2ccc(O)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.74
RAB9A P51151 4/20 0.74
KMT2A Q03164 3/20 0.74
EPHX2 P34913 2/20 0.74
MEN1 O00255 2/20 0.74
NR1H4 Q96RI1 1/20 0.74
L3MBTL1 Q9Y468 1/20 0.74
ALDH1A1 P00352 5/20 0.72
SMN1; SMN2 Q16637 1/20 0.72
PPARG P37231 1/20 0.64
TSHR P16473 1/20 0.61
GAA P10253 1/20 0.60
HDAC1 Q13547 2/20 0.59
HDAC6 Q9UBN7 1/20 0.59
HPGD P15428 3/20 0.58
CXCR3 P49682 1/20 0.57
KDM1A O60341 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57

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
SCHEMBL11761142 0.94 NPC1 (0.82) NPC1RAB9AKMT2AEPHX2MEN1
SCHEMBL9416606 0.94 NPC1 (0.82) NPC1RAB9AKMT2AEPHX2MEN1
SCHEMBL25442568 0.88 NPC1 (0.74) NPC1RAB9AKMT2AEPHX2MEN1
SCHEMBL12215290 0.88 NPC1 (0.74) NPC1RAB9AKMT2AEPHX2MEN1
SCHEMBL9416580 0.87 HDAC6 (0.64) NPC1RAB9AEPHX2NR1H4SMN1; SMN2
SCHEMBL5656941 0.86 NPC1 (0.74) NPC1RAB9AKMT2AEPHX2MEN1
SCHEMBL15886556 0.86 NPC1 (0.74) NPC1RAB9AKMT2AEPHX2MEN1
SCHEMBL16562244 0.86 RAB9A (0.74) NPC1RAB9AKMT2AEPHX2MEN1
SCHEMBL25243736 0.86 ESRRG (0.67) NPC1RAB9AKMT2AEPHX2MEN1
SCHEMBL2526264 0.86 NPC1 (0.83) NPC1RAB9AKMT2AEPHX2MEN1

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-7053212-B2 Acyclic amide and sulfonamide ligands for the estrogen receptor PFIZER INC. (US) 2006-05-30 US disclosed
EP-1542967-A1 AMIDE AND SULFONAMIDE LIGANDS FOR THE ESTROGEN RECEPTOR Pfizer Products Inc. (US) 2005-06-22 EP disclosed
US-20040110767-A1 Acyclic amide and sulfonamide ligands for the estrogen receptor PFIZER INC 2004-06-10 US disclosed
WO-2004026823-A1 AMIDE AND SULFONAMIDE LIGANDS FOR THE ESTROGEN RECEPTOR PFIZER PRODUCTS INC. (US) 2004-04-01 WO 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-20040110767-A1 Acyclic amide and sulfonamide ligands for the estrogen receptor GHSR, GPER1, SSTR1 NPC1 2873/4885RAB9A 1778/4885KMT2A 2144/4885

“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.