SCHEMBL5996332

SCHEMBL5996332

O=C(NCC(c1ccc2c(c1)OCO2)C(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.54
LMNA P02545 1/20 0.52
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
KMT2A Q03164 2/20 0.51
CYP3A4 P08684 4/20 0.50
MAPT P10636 3/20 0.49
UTS2R Q9UKP6 1/20 0.49
MCHR1 Q99705 1/20 0.48
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
MEN1 O00255 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
SLC6A9 P48067 1/20 0.46
SLC6A5 Q9Y345 1/20 0.46

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
SCHEMBL5999513 0.90 NPC1 (0.52) TP53LMNANPC1RAB9AKMT2A
SCHEMBL5998358 0.80 HPGD (0.58) TP53LMNANPC1RAB9AKMT2A
SCHEMBL6944681 0.78 RAB9A (0.52) TP53LMNANPC1RAB9AKMT2A
SCHEMBL5997623 0.78 SLC6A9 (0.51) NPC1RAB9AKMT2AMAPTGAA
SCHEMBL5998887 0.75 RAB9A (0.55) TP53LMNANPC1RAB9AKMT2A
SCHEMBL7168161 0.71 NPC1 (0.47) TP53LMNANPC1RAB9AKMT2A
SCHEMBL5998892 0.71 CYP3A4 (0.50) TP53LMNARAB9AKMT2ACYP3A4
SCHEMBL29897615 0.71 TP53 (0.55) TP53LMNANPC1RAB9ACYP3A4
SCHEMBL5996829 0.70 RAB9A (0.48) TP53LMNANPC1RAB9AKMT2A
SCHEMBL19696803 0.69 NPC1 (0.47) TP53LMNANPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040082601-A1 Anti-inflammatory compounds SCOTT MALCOLM K (US) 2004-04-29 US claimed
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
US-6372779-B1 ANTHRACENE DERIVATIVES WITH CARBAMOYL GROUPS, AMIDO GROUPS, UREA GROUPS AND SULFONAMIDE GROUPS ORTHO PHARMACEUTICAL CORPORATION 2002-04-16 US claimed
US-7141674-B2 Anti-inflammatory compounds JOHNSON & JOHNSON CONSUMER COMPANIES, INC. (US) 2006-11-28 US disclosed
US-20040082601-A1 Anti-inflammatory compounds SCOTT MALCOLM K (US) 2004-04-29 US disclosed
US-20030171585-A1 Triphenylpropanamide compounds SCOTT MALCOLM K (US) 2003-09-11 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 (3 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-20040082601-A1 Anti-inflammatory compounds TNF, PTGES, PTGES2 TP53 3825/4885LMNA 1869/4885NPC1 1491/4885
US-20030171585-A1 Triphenylpropanamide compounds PTGES, PTGES2, MPO TP53 1698/4885LMNA 1596/4885NPC1 1914/4885
US-20020103217-A1 Anti-inflammatory compounds TNF, PTGES, PTGES2 TP53 3825/4885LMNA 1869/4885NPC1 1491/4885

“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.