SCHEMBL6415804

SCHEMBL6415804

CC(=O)N(C)Cc1ccc(OCc2ccc(F)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.64
NR4A2 P43354 1/20 0.57
KMT2A Q03164 1/20 0.57
PARP10 Q53GL7 1/20 0.56
PPARA Q07869 1/20 0.56
ALOX5 P09917 1/20 0.56
PTGS1 P23219 1/20 0.56
PTGS2 P35354 1/20 0.56
MAOA P21397 1/20 0.55
APP P05067 1/20 0.51
HRH3 Q9Y5N1 1/20 0.50
FFAR1 O14842 1/20 0.50

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
SCHEMBL6418344 0.87 ALOX5 (0.74) MAOBNR4A2KMT2AALOX5PTGS1
SCHEMBL2760548 0.86 RIPK1 (0.60) KMT2A
SCHEMBL6412073 0.85 KMT2A (0.67) MAOBNR4A2KMT2APPARAMAOA
SCHEMBL6415754 0.80 KMT2A (0.53) MAOBNR4A2KMT2APARP10PPARA
SCHEMBL6415755 0.80 KMT2A (0.53) MAOBNR4A2KMT2APARP10PPARA
SCHEMBL2087139 0.78 MAOB (1.00) MAOBNR4A2PARP10MAOAHRH3
SCHEMBL10263162 0.78 MAOB (0.71) MAOBNR4A2PARP10MAOAAPP
SCHEMBL4422091 0.78 MAOB (0.61) MAOBNR4A2PARP10PPARAALOX5
SCHEMBL6411941 0.78 KMT2A (0.50) MAOBNR4A2KMT2APARP10PPARA
SCHEMBL6411939 0.78 KMT2A (0.50) MAOBNR4A2KMT2APARP10PPARA

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 MAOB 721/4885NR4A2 969/4885KMT2A 1208/4885
US-20030181490-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 MAOB 1871/4885NR4A2 679/4885KMT2A 1330/4885
US-20030027847-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 MAOB 1871/4885NR4A2 679/4885KMT2A 1330/4885

“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.