SCHEMBL4668625

SCHEMBL4668625

COC(=O)c1ccc2c(c1)N=C(Cl)c1c(cccc1C(N)=O)S2

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.39
TP53 P04637 6/20 0.38
PLEC Q15149 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
CNR1 P21554 4/20 0.37
CNR2 P34972 1/20 0.37
MAPT P10636 4/20 0.36
GAA P10253 3/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
ATM Q13315 1/20 0.36
HSD17B10 Q99714 1/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL4669462 0.82 TP53 (0.46) TP53PLECNPSR1SMN1; SMN2CNR1
SCHEMBL5057270 0.81 PARP1 (0.33) TP53SMN1; SMN2CNR1CNR2MAPT
SCHEMBL4670768 0.79 PLEC (0.53) TP53PLECNPSR1KDM4ESMN1; SMN2
SCHEMBL5057305 0.74 ESR1 (0.42) TP53KDM4ESMN1; SMN2CNR1CNR2
SCHEMBL5054098 0.74 CNR1 (0.45) TP53PLECKDM4ECNR1CNR2
SCHEMBL5064751 0.72 CNR1 (0.49) TP53PLECCNR1CNR2ALDH1A1
SCHEMBL5057732 0.71 CNR1 (0.44) TP53PLECKDM4ECNR1CNR2
SCHEMBL11397178 0.70 TP53 (0.48) TP53PLECNPSR1KDM4ESMN1; SMN2
SCHEMBL13807802 0.70 TP53 (0.53) TP53PLECNPSR1KDM4ESMN1; SMN2
SCHEMBL5057256 0.68 CNR1 (0.42) TP53NPSR1KDM4ESMN1; SMN2CNR1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-1937614-A1 IRON CATALYZED CROSS-COUPLING REACTIONS OF IMIDOYL DERIVATIVES Arcadia Pharmaceuticals Inc. (US) 2008-07-02 EP 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-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
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 SIRT2 2612/4885TP53 4530/4885PLEC 3692/4885
US-20070105819-A1 CB-1 modulating compounds and their use CNR1, CNR2, FAAH SIRT2 977/4885TP53 4870/4885PLEC 2850/4885
US-20080090805-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE CNR1, CNR2, FAAH SIRT2 977/4885TP53 4870/4885PLEC 2850/4885

“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.