SCHEMBL5058701

SCHEMBL5058701

COCCNC(=O)c1ccc2c(c1)N=C(c1ccc(Br)cc1)c1ccccc1S2

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.66
SMN1; SMN2 Q16637 3/20 0.66
CNR1 P21554 8/20 0.66
NPSR1 Q6W5P4 2/20 0.61
CNR2 P34972 2/20 0.59
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.54
HTT P42858 2/20 0.53
PAX8 Q06710 2/20 0.53
MAPT P10636 2/20 0.53
PLA2G1B P04054 1/20 0.53
ATG4B Q9Y4P1 1/20 0.53
RAB9A P51151 1/20 0.53
LMNA P02545 1/20 0.52
GAA P10253 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
SCHEMBL13807821 0.92 CNR1 (0.65) TP53SMN1; SMN2CNR1NPSR1CNR2
SCHEMBL5057738 0.91 CNR1 (0.75) TP53SMN1; SMN2CNR1NPSR1CNR2
SCHEMBL13807818 0.91 CNR1 (0.80) TP53SMN1; SMN2CNR1NPSR1CNR2
SCHEMBL13807819 0.91 CNR1 (0.67) TP53SMN1; SMN2CNR1NPSR1CNR2
SCHEMBL14542379 0.89 CNR1 (0.66) TP53SMN1; SMN2CNR1NPSR1CNR2
SCHEMBL13807830 0.87 CNR1 (0.80) TP53SMN1; SMN2CNR1NPSR1CNR2
SCHEMBL13808237 0.86 CNR1 (0.57) TP53SMN1; SMN2CNR1NPSR1CNR2
SCHEMBL5054211 0.86 CNR1 (0.74) TP53SMN1; SMN2CNR1NPSR1CNR2
SCHEMBL13807829 0.85 CNR1 (0.76) TP53SMN1; SMN2CNR1NPSR1CNR2
SCHEMBL13807820 0.85 TP53 (0.64) TP53SMN1; SMN2CNR1NPSR1CNR2

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 4870/4885SMN1; SMN2 2143/4885CNR1 1/4885
US-20080090805-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE CNR1, CNR2, FAAH TP53 4870/4885SMN1; SMN2 2143/4885CNR1 1/4885

“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.