SCHEMBL5054040

SCHEMBL5054040

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

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.73
SMN1; SMN2 Q16637 3/20 0.73
CNR1 P21554 9/20 0.69
CNR2 P34972 2/20 0.55
KDM4E B2RXH2 1/20 0.52
POLB P06746 1/20 0.52
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL5054177 0.94 TP53 (0.68) TP53SMN1; SMN2CNR1CNR2KDM4E
SCHEMBL5063075 0.94 CNR1 (0.70) TP53SMN1; SMN2CNR1CNR2KDM4E
SCHEMBL5058716 0.92 CNR1 (0.84) TP53SMN1; SMN2CNR1CNR2KDM4E
SCHEMBL5063094 0.90 TP53 (0.70) TP53SMN1; SMN2CNR1CNR2KDM4E
SCHEMBL5057196 0.87 TP53 (0.75) TP53SMN1; SMN2CNR1CNR2KDM4E
SCHEMBL5577088 0.85 CNR1 (0.59) TP53SMN1; SMN2CNR1CNR2KDM4E
SCHEMBL5054009 0.85 TP53 (0.63) TP53SMN1; SMN2CNR1CNR2KDM4E
SCHEMBL14043590 0.85 CNR1 (0.77) TP53SMN1; SMN2CNR1CNR2POLB
SCHEMBL14206015 0.85 TP53 (1.00) TP53SMN1; SMN2CNR1POLBALDH1A1
SCHEMBL5576166 0.84 CNR1 (0.71) TP53SMN1; SMN2CNR1CNR2

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 4530/4885SMN1; SMN2 3851/4885CNR1 4354/4885
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.