SCHEMBL5054009

SCHEMBL5054009

CC(NC(=O)c1ccc2c(c1)N=C(c1ccccc1)c1ccccc1S2)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.63
CNR1 P21554 9/20 0.59
SMN1; SMN2 Q16637 1/20 0.53
CNR2 P34972 2/20 0.50
PLEC Q15149 1/20 0.48
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.47

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
SCHEMBL5057294 0.93 CNR1 (0.59) TP53CNR1SMN1; SMN2CNR2
SCHEMBL5054184 0.93 TP53 (0.68) TP53CNR1SMN1; SMN2CNR2
SCHEMBL5062645 0.92 CNR1 (0.73) TP53CNR1SMN1; SMN2CNR2
SCHEMBL5057204 0.89 TP53 (0.60) TP53CNR1SMN1; SMN2CNR2PLEC
SCHEMBL5058670 0.86 TP53 (0.69) TP53CNR1SMN1; SMN2CNR2PLEC
SCHEMBL5054040 0.85 TP53 (0.73) TP53CNR1SMN1; SMN2CNR2KDM4E
SCHEMBL14205969 0.83 TP53 (0.84) TP53CNR1SMN1; SMN2PLECPOLB
SCHEMBL14206054 0.82 CNR1 (0.57) TP53CNR1SMN1; SMN2CNR2KDM4E
SCHEMBL13807922 0.82 CNR1 (0.63) TP53CNR1SMN1; SMN2CNR2KDM4E
SCHEMBL14205797 0.82 CNR1 (0.70) TP53CNR1SMN1; SMN2CNR2KDM4E

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 10 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-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

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 TP53 4530/4885CNR1 4354/4885SMN1; SMN2 3851/4885
US-20070105819-A1 CB-1 modulating compounds and their use CNR1, CNR2, FAAH TP53 4870/4885CNR1 1/4885SMN1; SMN2 2143/4885
US-20080090805-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE CNR1, CNR2, FAAH TP53 4870/4885CNR1 1/4885SMN1; SMN2 2143/4885

“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.