SCHEMBL4669462

SCHEMBL4669462

CCCCC1=Nc2cc(C(=O)OC)ccc2Sc2cccc(C(N)=O)c21

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 11/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
NPSR1 Q6W5P4 2/20 0.44
MAPT P10636 2/20 0.43
PLA2G1B P04054 2/20 0.43
HTT P42858 2/20 0.43
ATG4B Q9Y4P1 2/20 0.43
PAX8 Q06710 1/20 0.43
PLEC Q15149 1/20 0.43
GAA P10253 2/20 0.43
LMNA P02545 2/20 0.43
POLB P06746 1/20 0.42
ALDH1A1 P00352 1/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL4668625 0.82 SIRT2 (0.39) TP53SMN1; SMN2NPSR1MAPTPLEC
SCHEMBL5054124 0.82 TP53 (0.66) TP53SMN1; SMN2NPSR1MAPTPLA2G1B
SCHEMBL5057364 0.71 CNR1 (0.51) TP53SMN1; SMN2MAPTLMNACNR1
SCHEMBL4669460 0.70 TP53 (0.74) TP53SMN1; SMN2NPSR1MAPTPLA2G1B
SCHEMBL14205946 0.69 TP53 (0.70) TP53SMN1; SMN2NPSR1MAPTPLA2G1B
SCHEMBL13808255 0.69 PLEC (0.64) TP53SMN1; SMN2NPSR1MAPTPLA2G1B
SCHEMBL4669465 0.69 TP53 (0.59) TP53SMN1; SMN2NPSR1MAPTPLA2G1B
SCHEMBL14043542 0.69 TP53 (0.72) TP53SMN1; SMN2NPSR1MAPTPLA2G1B
SCHEMBL14542215 0.68 TP53 (0.68) TP53SMN1; SMN2NPSR1MAPTPLA2G1B
SCHEMBL5057305 0.67 ESR1 (0.42) TP53SMN1; SMN2MAPTLMNAALDH1A1

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-1937677-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE Arcadia Pharmaceuticals Inc. (US) 2008-07-02 EP disclosed
EP-1937614-A1 IRON CATALYZED CROSS-COUPLING REACTIONS OF IMIDOYL DERIVATIVES 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 TP53 4530/4885SMN1; SMN2 3851/4885NPSR1 3653/4885
US-20070105819-A1 CB-1 modulating compounds and their use CNR1, CNR2, FAAH TP53 4870/4885SMN1; SMN2 2143/4885NPSR1 72/4885
US-20080090805-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE CNR1, CNR2, FAAH TP53 4870/4885SMN1; SMN2 2143/4885NPSR1 72/4885

“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.