SCHEMBL13807809

SCHEMBL13807809

O=C(NNCc1ccccc1)c1ccc2c(c1)N=C(Cl)c1ccccc1S2

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.57
CNR1 P21554 9/20 0.53
MAPT P10636 1/20 0.49
PLEC Q15149 1/20 0.49
CNR2 P34972 3/20 0.48
TP53 P04637 6/20 0.48
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
PKM P14618 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL5064837 0.89 POLB (0.71) POLBCNR1MAPTCNR2TP53
SCHEMBL13808018 0.87 POLB (0.52) POLBCNR1MAPTPLECCNR2
SCHEMBL13807814 0.87 PLEC (0.52) POLBCNR1MAPTPLECCNR2
SCHEMBL13807808 0.86 POLB (0.52) POLBCNR1MAPTPLECCNR2
SCHEMBL13807790 0.86 CNR1 (0.66) POLBCNR1MAPTPLECCNR2
SCHEMBL5057235 0.84 CNR1 (0.51) POLBCNR1MAPTPLECCNR2
SCHEMBL13808231 0.84 CNR1 (0.69) POLBCNR1MAPTPLECCNR2
SCHEMBL5058707 0.83 MAPT (0.69) POLBCNR1MAPTCNR2TP53
SCHEMBL13807972 0.82 CNR1 (0.65) POLBCNR1MAPTPLECCNR2
SCHEMBL13807815 0.82 CNR1 (0.57) POLBCNR1MAPTPLECCNR2

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 POLB 4785/4885CNR1 1/4885MAPT 3344/4885
US-20080090805-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE CNR1, CNR2, FAAH POLB 4785/4885CNR1 1/4885MAPT 3344/4885

“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.