SCHEMBL5064758

SCHEMBL5064758

O=C(O)c1ccc2c(c1)N=C(c1ccccc1)c1cc(F)ccc1S2

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLEC Q15149 1/20 0.55
ALDH1A1 P00352 1/20 0.51
CNR1 P21554 8/20 0.51
RARA P10276 1/20 0.49
RARB P10826 1/20 0.49
RXRA P19793 1/20 0.49
RXRB P28702 1/20 0.49
RXRG P48443 1/20 0.49
RECQL P46063 1/20 0.49
SIRT5 Q9NXA8 1/20 0.49
CNR2 P34972 2/20 0.43
POLB P06746 2/20 0.43
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TP53 P04637 2/20 0.40
DRD2 P14416 2/20 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
SCHEMBL5064754 0.90 CNR1 (0.56) PLECALDH1A1CNR1RARARARB
SCHEMBL5054116 0.89 CNR1 (0.55) PLECALDH1A1CNR1RARARARB
SCHEMBL5064844 0.87 PLEC (0.67) PLECALDH1A1CNR1RARARARB
SCHEMBL5057174 0.82 ALDH1A1 (0.55) PLECALDH1A1CNR1RECQLSIRT5
SCHEMBL13808030 0.78 CNR1 (0.65) PLECCNR1CNR2POLBSMN1; SMN2
SCHEMBL5057185 0.77 CNR1 (0.77) ALDH1A1CNR1CNR2POLBSMN1; SMN2
SCHEMBL5577088 0.75 CNR1 (0.59) CNR1CNR2SMN1; SMN2TP53
SCHEMBL5057655 0.74 DRD2 (0.54) PLECALDH1A1CNR1RECQLSIRT5
SCHEMBL5064756 0.74 CNR1 (0.56) PLECALDH1A1CNR1RECQLSIRT5
SCHEMBL5057733 0.74 CNR1 (0.83) ALDH1A1CNR1CNR2POLBSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080090805-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE ACADIA PHARMACEUTICALS INC. (US) 2008-04-17 US 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 (1 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-20080090805-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE CNR1, CNR2, FAAH PLEC 2850/4885ALDH1A1 888/4885CNR1 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.