SCHEMBL6418344

SCHEMBL6418344

CC(=O)N(C)Cc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.74
PTGS1 P23219 1/20 0.74
PTGS2 P35354 1/20 0.74
L3MBTL1 Q9Y468 2/20 0.63
TSPO P30536 1/20 0.62
MAOB P27338 1/20 0.60
LTB4R Q15722 1/20 0.59
LTB4R2 Q9NPC1 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.57
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
MAPK1 P28482 1/20 0.56
NR4A1 P22736 1/20 0.55
NR4A2 P43354 1/20 0.55
NR4A3 Q92570 1/20 0.55
KMT2A Q03164 1/20 0.55
FFAR1 O14842 1/20 0.55
FFAR4 Q5NUL3 1/20 0.55
ALDH1A1 P00352 1/20 0.55
HTT P42858 1/20 0.55

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
SCHEMBL6415804 0.87 MAOB (0.64) ALOX5PTGS1PTGS2MAOBNR4A2
SCHEMBL8652025 0.85 ALOX5 (0.76) ALOX5PTGS1PTGS2L3MBTL1LTB4R
SCHEMBL9707249 0.85 ALOX5 (1.00) ALOX5PTGS1PTGS2L3MBTL1TSPO
SCHEMBL425164 0.83 NPC1 (0.68) SMN1; SMN2NPC1RAB9AKMT2AALDH1A1
SCHEMBL8935398 0.83 RAB9A (0.60) ALOX5PTGS1PTGS2L3MBTL1LTB4R
SCHEMBL24217539 0.83 MEN1 (0.59) TSPOSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL8494501 0.82 ALOX5 (0.61) ALOX5PTGS1PTGS2L3MBTL1MAOB
SCHEMBL8494497 0.82 ALOX5 (0.61) ALOX5PTGS1PTGS2L3MBTL1MAOB
SCHEMBL8826002 0.82 ALOX5 (0.61) ALOX5PTGS1PTGS2L3MBTL1MAOB
SCHEMBL8826005 0.82 ALOX5 (0.61) ALOX5PTGS1PTGS2L3MBTL1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050043370-A1 HIV integrase inhibitors WALKER MICHAEL A (US) 2005-02-24 US disclosed
US-6803378-B2 FOR THERAPY AND PROPHYLAXIS OF ACQUIRED IMMUNE DEFICIENCY SYNDROME (AIDS), OR ARC BRISTOL-MYERS SQUIBB COMPANY 2004-10-12 US disclosed
US-20030181490-A1 HIV integrase inhibitors WALKER MICHAEL A (US) 2003-09-25 US disclosed
EP-1322599-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-02 EP disclosed
US-20030027847-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-02-06 US disclosed
WO-2001096283-A9 HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2002-10-17 WO disclosed
WO-2001096283-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-12-20 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-20050043370-A1 HIV integrase inhibitors AKR1C3, CBR3, CBR1 ALOX5 864/4885PTGS1 1606/4885PTGS2 2031/4885
US-20030181490-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 ALOX5 1451/4885PTGS1 1224/4885PTGS2 2366/4885
US-20030027847-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 ALOX5 1451/4885PTGS1 1224/4885PTGS2 2366/4885

“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.