SCHEMBL5064837

SCHEMBL5064837

O=C(NCc1ccccc1)c1ccc2c(c1)N=C(Cl)c1ccccc1S2

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.71
CNR1 P21554 9/20 0.65
TP53 P04637 4/20 0.59
CNR2 P34972 3/20 0.57
MAPT P10636 2/20 0.56
LMNA P02545 4/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
PKM P14618 2/20 0.54
ALDH1A1 P00352 1/20 0.54
PLA2G1B P04054 1/20 0.52
HTT P42858 1/20 0.52
ATG4B Q9Y4P1 1/20 0.52

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
SCHEMBL5054284 0.93 CNR1 (0.69) POLBCNR1TP53CNR2MAPT
SCHEMBL13807810 0.93 POLB (0.62) POLBCNR1TP53CNR2MAPT
SCHEMBL5057266 0.92 CNR1 (0.77) POLBCNR1TP53CNR2MAPT
SCHEMBL13807806 0.92 POLB (0.61) POLBCNR1TP53CNR2MAPT
SCHEMBL13807811 0.90 PKM (0.66) POLBCNR1TP53CNR2MAPT
SCHEMBL5058707 0.89 MAPT (0.69) POLBCNR1TP53CNR2MAPT
SCHEMBL13807809 0.89 POLB (0.57) POLBCNR1TP53CNR2MAPT
SCHEMBL14205735 0.88 POLB (0.57) POLBCNR1TP53CNR2MAPT
SCHEMBL5058682 0.87 MAPT (0.62) POLBCNR1TP53CNR2MAPT
SCHEMBL5057590 0.87 LMNA (0.68) POLBCNR1TP53CNR2MAPT

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 POLB 1159/4885CNR1 4354/4885TP53 4530/4885
US-20070105819-A1 CB-1 modulating compounds and their use CNR1, CNR2, FAAH POLB 4785/4885CNR1 1/4885TP53 4870/4885
US-20080090805-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE CNR1, CNR2, FAAH POLB 4785/4885CNR1 1/4885TP53 4870/4885

“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.