SCHEMBL5057337

SCHEMBL5057337

O=C(NCCc1cccc(Cl)c1)c1ccc2c(c1)N=C(Cl)c1ccccc1S2

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.65
CNR1 P21554 8/20 0.64
CNR2 P34972 3/20 0.57
TP53 P04637 7/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
GAA P10253 1/20 0.56
POLB P06746 1/20 0.54
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL5058707 0.92 MAPT (0.69) MAPTCNR1CNR2TP53SMN1; SMN2
SCHEMBL5062703 0.90 MAPT (0.69) MAPTCNR1CNR2TP53SMN1; SMN2
SCHEMBL5057266 0.90 CNR1 (0.77) MAPTCNR1CNR2TP53POLB
SCHEMBL5054064 0.89 CNR1 (0.68) MAPTCNR1CNR2TP53SMN1; SMN2
SCHEMBL5062888 0.89 CNR1 (0.72) MAPTCNR1CNR2TP53SMN1; SMN2
SCHEMBL5057715 0.89 CNR1 (0.73) MAPTCNR1CNR2TP53SMN1; SMN2
SCHEMBL5062814 0.88 CNR1 (0.74) MAPTCNR1CNR2TP53SMN1; SMN2
SCHEMBL5057710 0.88 CNR1 (0.84) MAPTCNR1CNR2TP53SMN1; SMN2
SCHEMBL5058682 0.86 MAPT (0.62) MAPTCNR1CNR2TP53SMN1; SMN2
SCHEMBL5064744 0.85 CNR1 (0.73) MAPTCNR1CNR2TP53SMN1; SMN2

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 MAPT 4383/4885CNR1 4354/4885CNR2 4267/4885
US-20070105819-A1 CB-1 modulating compounds and their use CNR1, CNR2, FAAH MAPT 3344/4885CNR1 1/4885CNR2 2/4885
US-20080090805-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE CNR1, CNR2, FAAH MAPT 3344/4885CNR1 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.