SCHEMBL5564847

SCHEMBL5564847

CN(C)CCOc1cccc2cc(C(=O)Nc3ccccc3NC(=O)OC(C)(C)C)oc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.44
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CNR2 P34972 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GLA P06280 1/20 0.41
BMP1 P13497 2/20 0.40
KDM4E B2RXH2 2/20 0.40
HTR1B P28222 1/20 0.39
KDR P35968 1/20 0.39
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
BRPF1 P55201 1/20 0.38
TP53 P04637 1/20 0.38
UGCG Q16739 2/20 0.37
LMNA P02545 1/20 0.37
RECQL P46063 1/20 0.37

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
SCHEMBL5564958 0.95 RXFP1 (0.45) RXFP1RAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL5564644 0.90 NPC1 (0.40) RAB9ANPC1SMN1; SMN2L3MBTL1CNR2
SCHEMBL5564059 0.90 NPC1 (0.47) RXFP1RAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL5565724 0.87 NPC1 (0.44) RXFP1RAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL5563555 0.86 RAB9A (0.44) RXFP1RAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL5566157 0.85 RAB9A (0.41) RAB9ANPC1SMN1; SMN2L3MBTL1CNR2
SCHEMBL6444267 0.85 RAB9A (0.47) RXFP1RAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL5563050 0.84 RXFP1 (0.45) RXFP1RAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL5564192 0.83 RXFP1 (0.46) RXFP1NPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL5559654 0.83 RXFP1 (0.54) RXFP1NPC1CNR2ALDH1A1KDM4E

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-7208491-B2 N-monoacylated o-phenylenediamines HOFFMANN-LA ROCHE INC. (US) 2007-04-24 US disclosed
EP-1594857-A2 N-MONOACYLATED O-PHENYLENEDIAMINES AS ANTI-CANCER AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2005-11-16 EP disclosed
WO-2004069133-A2 N-MONOACYLATED O-PHENYLENEDIAMINES AS ANTI -CANCER AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2004-08-19 WO disclosed
US-20040157841-A1 inhibition of histone deacetylase; for inhibiting cell proliferation; cancer therapy HOFFMANN-LA ROCHE INC. 2004-08-12 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-20040157841-A1 inhibition of histone deacetylase; for inhibiting cell proliferation; cancer therapy HDAC1, HDAC11, HDAC7 RXFP1 2974/4885RAB9A 3181/4885NPC1 1590/4885

“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.