SCHEMBL13808239

SCHEMBL13808239

COCCNC(=O)c1ccc2c(c1)N=C(Cl)c1ccccc1S2

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 7/20 0.73
SMN1; SMN2 Q16637 3/20 0.73
NPSR1 Q6W5P4 2/20 0.67
CNR1 P21554 5/20 0.61
CNR2 P34972 2/20 0.61
KDM4E B2RXH2 1/20 0.61
ALDH1A1 P00352 1/20 0.59
MAPT P10636 4/20 0.58
PLA2G1B P04054 1/20 0.58
HTT P42858 1/20 0.58
PAX8 Q06710 1/20 0.58
ATG4B Q9Y4P1 1/20 0.58
GAA P10253 2/20 0.57
LMNA P02545 1/20 0.57

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
SCHEMBL13807812 0.91 MAPT (0.68) TP53SMN1; SMN2NPSR1CNR1CNR2
SCHEMBL4668620 0.90 TP53 (0.60) TP53SMN1; SMN2NPSR1CNR1CNR2
SCHEMBL13808126 0.89 TP53 (0.75) TP53SMN1; SMN2NPSR1CNR1CNR2
SCHEMBL13807817 0.88 CNR1 (0.79) TP53SMN1; SMN2NPSR1CNR1CNR2
SCHEMBL4748210 0.87 CNR1 (0.78) TP53SMN1; SMN2NPSR1CNR1CNR2
SCHEMBL5057539 0.87 CNR1 (0.60) TP53SMN1; SMN2NPSR1CNR1CNR2
SCHEMBL13808241 0.86 CNR1 (0.70) TP53SMN1; SMN2NPSR1CNR1CNR2
SCHEMBL13807818 0.86 CNR1 (0.80) TP53SMN1; SMN2NPSR1CNR1CNR2
SCHEMBL13807822 0.86 TP53 (0.68) TP53SMN1; SMN2NPSR1CNR1CNR2
SCHEMBL5058707 0.85 MAPT (0.69) TP53SMN1; SMN2NPSR1CNR1CNR2

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
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-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 2143/4885NPSR1 72/4885
US-20080090805-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE CNR1, CNR2, FAAH TP53 4870/4885SMN1; SMN2 2143/4885NPSR1 72/4885

“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.