SCHEMBL5223536

SCHEMBL5223536

CC(C)C(=O)C(NC(=O)c1ccc(F)cc1)C(=O)NCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.51
RAB9A P51151 4/20 0.48
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 4/20 0.47
LMNA P02545 3/20 0.47
MEN1 O00255 2/20 0.47
MAPK1 P28482 1/20 0.47
ALOX12 P18054 1/20 0.47
RECQL P46063 1/20 0.47
CXCR4 P61073 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CTSL P07711 1/20 0.46
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL5222854 0.88 KMT2A (0.52) RAB9AKMT2AALDH1A1LMNAMEN1
SCHEMBL14520430 0.81 SMN1; SMN2 (0.50) NPC1RAB9AKMT2AALDH1A1LMNA
SCHEMBL5219395 0.81 NPC1 (0.51) NPC1RAB9AKMT2AALDH1A1LMNA
SCHEMBL5230740 0.77 HDAC6 (0.72) NPC1RAB9AKMT2AALDH1A1LMNA
SCHEMBL23099741 0.73 NPC1 (0.74) NPC1RAB9AKMT2AALDH1A1LMNA
SCHEMBL12375175 0.72 HPGD (0.65) KMT2ALMNAMEN1MAPK1HPGD
SCHEMBL8760 0.72 KMT2A (0.67) KMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL13257633 0.71 KMT2A (0.86) NPC1KMT2AALDH1A1LMNAMEN1
SCHEMBL1155517 0.71 ALDH1A1 (0.72) NPC1RAB9AKMT2AALDH1A1LMNA
SCHEMBL2245328 0.71 MMP12 (0.70)

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007049121-A1 CRYSTAL FORM OF SODIUM; (3R,5R)-7-[4-BENZYLCARBAMOYL-2-(4-FLUOROPHENYL)-5-ISOPROPYL-IMIDAZOL-1-YL]-3,5-DIHYDROXY-HEPTANOATE PFIZER PRODUCTS INC. (US) 2007-05-03 WO disclosed
EP-1740549-A2 NOVEL IMIDAZOLES Warner-Lambert Company LLC (US) 2007-01-10 EP disclosed
US-20060287378-A1 Novel pyrroles and imidazoles WARNER-LAMBERT COMPANY LLC 2006-12-21 US disclosed
WO-2005105079-A2 NOVEL IMIDAZOLES WARNER-LAMBERT COMPANY LLC (US) 2005-11-10 WO disclosed
US-20050239857-A1 Novel imidazoles BOLTON GARY L 2005-10-27 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 (2 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-20060287378-A1 Novel pyrroles and imidazoles PPIP5K2, PPIE, PPOX NPC1 3514/4885RAB9A 2152/4885KMT2A 3468/4885
US-20050239857-A1 Novel imidazoles HMGCR, HMGB2, HMGB3 NPC1 120/4885RAB9A 3634/4885KMT2A 1257/4885

“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.