SCHEMBL4669703

SCHEMBL4669703

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

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLEC Q15149 1/20 0.54
CNR1 P21554 10/20 0.50
CNR2 P34972 2/20 0.47
TP53 P04637 3/20 0.46
POLB P06746 1/20 0.44
ALDH1A1 P00352 2/20 0.44
NPSR1 Q6W5P4 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.43
RECQL P46063 1/20 0.42
SIRT5 Q9NXA8 1/20 0.42
LMNA P02545 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL15485372 0.86 RARA (0.41) PLECCNR1CNR2TP53LMNA
SCHEMBL5054252 0.86 LMNA (0.50) PLECCNR1TP53POLBALDH1A1
SCHEMBL13807942 0.85 ALDH1A1 (0.43) PLECCNR1CNR2TP53POLB
SCHEMBL13807753 0.85 LMNA (0.44) PLECCNR1TP53POLBALDH1A1
SCHEMBL4670768 0.84 PLEC (0.53) PLECCNR1CNR2TP53POLB
SCHEMBL14542555 0.84 CNR1 (0.60) PLECCNR1CNR2TP53POLB
SCHEMBL5057385 0.84 CNR1 (0.40) PLECCNR1CNR2TP53POLB
SCHEMBL14043713 0.83 PLEC (0.52) PLECCNR1CNR2TP53POLB
SCHEMBL13807814 0.83 PLEC (0.52) PLECCNR1CNR2TP53POLB
SCHEMBL5058714 0.82 PLEC (0.39) PLECCNR1CNR2TP53ALDH1A1

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 15 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
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
EP-1937677-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE Arcadia Pharmaceuticals Inc. (US) 2008-07-02 EP 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-20070106074-A1 Iron catalyzed cross-coupling reactions of imidoyl derivatives ACADIA PHARMACEUTICALS 2007-05-10 US disclosed
US-20070106074-A1 Iron catalyzed cross-coupling reactions of imidoyl derivatives ACADIA PHARMACEUTICALS 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
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
WO-2007047737-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE ACADIA PHARMACEUTICALS INC. (US) 2007-04-26 WO disclosed
WO-2007047776-A1 IRON CATALYZED CROSS-COUPLING REACTIONS OF IMIDOYL DERIVATIVES 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 (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-20070106074-A1 Iron catalyzed cross-coupling reactions of imidoyl derivatives SDHB, TFRC, SLC40A1 PLEC 3692/4885CNR1 4354/4885CNR2 4267/4885
US-20070105819-A1 CB-1 modulating compounds and their use CNR1, CNR2, FAAH PLEC 2850/4885CNR1 1/4885CNR2 2/4885
US-20080090805-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE CNR1, CNR2, FAAH PLEC 2850/4885CNR1 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.