SCHEMBL7168161

SCHEMBL7168161

N#Cc1cccc(CC(=O)NCC(c2ccc3c(c2)OCO3)C(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
HPGD P15428 1/20 0.47
ERCC1 P07992 1/20 0.43
ERCC4 Q92889 1/20 0.43
CNR1 P21554 1/20 0.42
MCHR1 Q99705 1/20 0.42
LMNA P02545 4/20 0.42
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
TP53 P04637 6/20 0.41
PKM P14618 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PSMB5 P28074 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL5998887 0.82 RAB9A (0.55) NPC1RAB9AHPGDLMNAPRMT5
SCHEMBL5996829 0.78 RAB9A (0.48) NPC1RAB9AHPGDCNR1LMNA
SCHEMBL5996332 0.71 TP53 (0.54) NPC1RAB9AMCHR1LMNATP53
SCHEMBL5998358 0.71 HPGD (0.58) NPC1RAB9AHPGDLMNATP53
SCHEMBL5999513 0.70 NPC1 (0.52) NPC1RAB9AHPGDMCHR1LMNA
SCHEMBL6944681 0.69 RAB9A (0.52) NPC1RAB9AHPGDLMNATP53
SCHEMBL24559452 0.67 RAB9A (0.58) NPC1RAB9AHPGDMCHR1LMNA
SCHEMBL5151908 0.67 ITGB3 (0.57) NPC1RAB9AHPGDKDM4EMEN1
SCHEMBL7134347 0.67 CNR2 (0.58) RAB9ACNR1LMNAKDM4E
SCHEMBL5998892 0.66 CYP3A4 (0.50) RAB9ACNR1LMNATP53MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030171585-A1 Triphenylpropanamide compounds SCOTT MALCOLM K (US) 2003-09-11 US claimed
US-20020103217-A1 Anti-inflammatory compounds SCOTT MALCOLM K (US) 2002-08-01 US claimed
EP-0966430-A1 ANTI-INFLAMMATORY COMPOUNDS Ortho-Mcneil Pharmaceutical Corp. (US) 1999-12-29 EP claimed
WO-1999033786-A1 ANTI-INFLAMMATORY COMPOUNDS ORTHO-MCNEIL PHARMACEUTICAL CORPORATION (US) 1999-07-08 WO claimed
US-20030171585-A1 Triphenylpropanamide compounds SCOTT MALCOLM K (US) 2003-09-11 US disclosed
US-6509369-B2 Triphenylpropanamide compounds; useful in treating inflammations but which do not demonstrate side effects associated with other anti-inflammatory treatments such as glucocorticoids ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-01-21 US disclosed
US-20020103217-A1 Anti-inflammatory compounds SCOTT MALCOLM K (US) 2002-08-01 US disclosed
EP-0966430-B1 ANTI-INFLAMMATORY COMPOUNDS ORTHO MCNEIL PHARM INC (US) 2002-06-05 EP disclosed
US-6372779-B1 ANTHRACENE DERIVATIVES WITH CARBAMOYL GROUPS, AMIDO GROUPS, UREA GROUPS AND SULFONAMIDE GROUPS ORTHO PHARMACEUTICAL CORPORATION 2002-04-16 US disclosed
EP-0966430-A1 ANTI-INFLAMMATORY COMPOUNDS Ortho-Mcneil Pharmaceutical Corp. (US) 1999-12-29 EP disclosed
WO-1999033786-A1 ANTI-INFLAMMATORY COMPOUNDS ORTHO-MCNEIL PHARMACEUTICAL CORPORATION (US) 1999-07-08 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 (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-20030171585-A1 Triphenylpropanamide compounds PTGES, PTGES2, MPO NPC1 1914/4885RAB9A 3374/4885HPGD 544/4885
US-20020103217-A1 Anti-inflammatory compounds TNF, PTGES, PTGES2 NPC1 1491/4885RAB9A 3661/4885HPGD 189/4885

“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.