SCHEMBL5058775

SCHEMBL5058775

CCCNC(=O)c1ccc2c(c1)N=C(c1sccc1C)c1ccccc1S2

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.66
CNR1 P21554 7/20 0.64
CNR2 P34972 2/20 0.64
SMN1; SMN2 Q16637 3/20 0.57
NPSR1 Q6W5P4 2/20 0.55
KDM4E B2RXH2 1/20 0.54
PLA2G1B P04054 1/20 0.54
MAPT P10636 1/20 0.54
HTT P42858 1/20 0.54
PAX8 Q06710 1/20 0.54
ATG4B Q9Y4P1 1/20 0.54
POLB P06746 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
LMNA P02545 1/20 0.53
GAA P10253 1/20 0.53
ALDH1A1 P00352 1/20 0.52

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
SCHEMBL5054123 0.95 CNR1 (0.71) TP53CNR1CNR2SMN1; SMN2NPSR1
SCHEMBL14205980 0.92 TP53 (0.64) TP53CNR1CNR2SMN1; SMN2NPSR1
SCHEMBL5054283 0.91 CNR1 (0.69) TP53CNR1CNR2SMN1; SMN2NPSR1
SCHEMBL5058691 0.90 CNR1 (0.54) TP53CNR1CNR2SMN1; SMN2NPSR1
SCHEMBL5058646 0.89 CNR1 (0.66) TP53CNR1CNR2SMN1; SMN2NPSR1
SCHEMBL5057200 0.89 CNR1 (0.57) TP53CNR1CNR2SMN1; SMN2NPSR1
SCHEMBL5057229 0.89 TP53 (0.54) TP53CNR1CNR2SMN1; SMN2NPSR1
SCHEMBL5064625 0.87 MAPT (0.52) TP53CNR1CNR2KDM4EPLA2G1B
SCHEMBL14206115 0.87 CNR1 (0.50) TP53CNR1CNR2SMN1; SMN2NPSR1
SCHEMBL5058687 0.86 POLB (0.56) TP53CNR1CNR2SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009075691-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE ACADIA PHARMACEUTICALS INC. (US) 2009-06-18 WO disclosed
WO-2008118141-A2 USE OF CANNABINOID MODULATING COMPOUNDS IN COMBINATION WITH OTHER THERAPEUTIC COMPOUNDS FOR ADJUNCTIVE THERAPY ACADIA PHARMACEUTICALS INC. (US) 2008-10-02 WO disclosed
US-20080090805-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE ACADIA PHARMACEUTICALS INC. (US) 2008-04-17 US disclosed
US-20080090805-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE ACADIA PHARMACEUTICALS INC. (US) 2008-04-17 US disclosed
US-20080090805-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE ACADIA PHARMACEUTICALS INC. (US) 2008-04-17 US disclosed
US-20070105819-A1 CB-1 modulating compounds and their use ACADIA PHARMACEUTICALS, INC. 2007-05-10 US disclosed
US-20070105819-A1 CB-1 modulating compounds and their use ACADIA PHARMACEUTICALS, INC. 2007-05-10 US disclosed
US-20070105819-A1 CB-1 modulating compounds and their use ACADIA PHARMACEUTICALS, INC. 2007-05-10 US disclosed
WO-2007047737-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE ACADIA PHARMACEUTICALS INC. (US) 2007-04-26 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-20070105819-A1 CB-1 modulating compounds and their use CNR1, CNR2, FAAH TP53 4870/4885CNR1 1/4885CNR2 2/4885
US-20080090805-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE CNR1, CNR2, FAAH TP53 4870/4885CNR1 1/4885CNR2 2/4885

“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.