SCHEMBL861080

SCHEMBL861080

COc1ccc2c(c1)c(CC(=O)N1CCN(Cl)CC1)c(C)n2C(=O)c1ccc(Cl)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.82
NPSR1 Q6W5P4 2/20 0.82
CNR2 P34972 3/20 0.81
MEN1 O00255 2/20 0.81
CYP1A2 P05177 2/20 0.81
CYP2C9 P11712 2/20 0.81
PMP22 Q01453 2/20 0.81
KMT2A Q03164 2/20 0.81
GMNN O75496 1/20 0.81
CYP3A4 P08684 1/20 0.81
PKM P14618 1/20 0.81
TSHR P16473 1/20 0.81
NFKB1 P19838 1/20 0.81
CYP2C19 P33261 1/20 0.81
BLM P54132 1/20 0.81
PTGS2 P35354 12/20 0.74
PTGS1 P23219 3/20 0.72
AKR1C3 P42330 2/20 0.72
KDM4E B2RXH2 1/20 0.72
PTGES O14684 1/20 0.72

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
SCHEMBL15934125 0.93 LMNA (0.82) LMNANPSR1CNR2MEN1CYP1A2
SCHEMBL13286994 0.93 LMNA (0.85) LMNANPSR1CNR2MEN1CYP1A2
SCHEMBL15932300 0.90 LMNA (0.78) LMNANPSR1CNR2MEN1CYP1A2
Indomethacin Morpholinylamide SCHEMBL8314320 0.90 CNR2 (1.00) LMNANPSR1CNR2MEN1CYP1A2
Indomethacin Morpholinylamide SCHEMBL29358919 0.90 CNR2 (1.00) LMNANPSR1CNR2MEN1CYP1A2
SCHEMBL13286940 0.90 CNR2 (0.80) LMNANPSR1CNR2MEN1CYP1A2
SCHEMBL3842689 0.88 CNR2 (0.78) LMNANPSR1CNR2MEN1CYP1A2
SCHEMBL14099284 0.87 LMNA (0.73) LMNANPSR1CNR2MEN1CYP1A2
SCHEMBL14099292 0.87 LMNA (0.73) LMNANPSR1CNR2MEN1CYP1A2
SCHEMBL2238173 0.85 PTGS2 (1.00) LMNANPSR1CNR2MEN1CYP1A2

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
US-8865130-B2 Methods and compositions for diagnostic and therapeutic targeting of COX-2 VANDERBILT UNIVERSITY (US) 2014-10-21 US disclosed
US-20130052138-A1 METHODS AND COMPOSITIONS FOR DIAGNOSTIC AND THERAPEUTIC TARGETING OF COX-2 VANDERBILT UNIVERSITY (US) 2013-02-28 US disclosed
US-8143302-B2 Methods and compositions for diagnostic and therapeutic targeting of COX-2 VANDERBILT UNIVERSITY (US) 2012-03-27 US disclosed
US-20100254910-A1 METHODS AND COMPOSITIONS FOR DIAGNOSTIC AND THERAPEUTIC TARGETING OF COX-2 VANDERBILT UNIVERSITY (US) 2010-10-07 US disclosed
US-20070292352-A1 derivatives of non-steroidal anti-inflammatory drugs that exhibit selective binding to cyclooxygenase-2 (COX-2) and that comprise functional groups allowing them to be used for medical diagnosis and/or as therapeutic agents; tissue-targeted therapy VANDERBILT UNIVERSITY (US) 2007-12-20 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 (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-20100254910-A1 METHODS AND COMPOSITIONS FOR DIAGNOSTIC AND THERAPEUTIC TARGETING OF COX-2 PTGS2, PTGES2, PTGER2 LMNA 2338/4885NPSR1 1283/4885CNR2 110/4885
US-20070292352-A1 derivatives of non-steroidal anti-inflammatory drugs that exhibit selective binding to cyclooxygenase-2 (COX-2) and that comprise functional groups allowing them to be used for medical diagnosis and/or as therapeutic agents; tissue-targeted therapy PTGES2, PTGS2, PTGER2 LMNA 3249/4885NPSR1 534/4885CNR2 85/4885
US-20130052138-A1 METHODS AND COMPOSITIONS FOR DIAGNOSTIC AND THERAPEUTIC TARGETING OF COX-2 PTGS2, PTGES2, PTGER2 LMNA 2338/4885NPSR1 1283/4885CNR2 110/4885

“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.