SCHEMBL5064844

SCHEMBL5064844

O=C(O)c1ccc2c(c1)N=C(c1ccccc1)c1ccccc1S2

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLEC Q15149 1/20 0.67
CNR1 P21554 9/20 0.60
ALDH1A1 P00352 2/20 0.55
RECQL P46063 1/20 0.53
SIRT5 Q9NXA8 1/20 0.53
RARA P10276 1/20 0.53
RARB P10826 1/20 0.53
RXRA P19793 1/20 0.53
RXRB P28702 1/20 0.53
RXRG P48443 1/20 0.53
CNR2 P34972 2/20 0.49
TP53 P04637 2/20 0.48
POLB P06746 1/20 0.46
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAPT P10636 1/20 0.44
LMNA P02545 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL5064758 0.87 PLEC (0.55) PLECCNR1ALDH1A1RECQLSIRT5
SCHEMBL1366965 0.86 RARA (0.64) PLECCNR1ALDH1A1RECQLSIRT5
SCHEMBL5062783 0.82 CNR1 (0.74) PLECCNR1CNR2TP53POLB
SCHEMBL5058781 0.82 MEN1 (0.61) PLECCNR1ALDH1A1TP53GAA
SCHEMBL14043590 0.82 CNR1 (0.77) CNR1ALDH1A1CNR2TP53POLB
SCHEMBL5062759 0.82 CNR1 (0.72) CNR1ALDH1A1CNR2TP53POLB
SCHEMBL5057608 0.81 CNR1 (0.66) CNR1CNR2TP53POLBGAA
SCHEMBL5054009 0.81 TP53 (0.63) PLECCNR1CNR2TP53POLB
SCHEMBL5054094 0.80 CNR1 (0.71) PLECCNR1CNR2TP53POLB
SCHEMBL5057213 0.80 CNR1 (0.85) CNR1ALDH1A1CNR2TP53POLB

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 2 patents. 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
US-20070105819-A1 CB-1 modulating compounds and their use ACADIA PHARMACEUTICALS, INC. 2007-05-10 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 (2 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-20070105819-A1 CB-1 modulating compounds and their use CNR1, CNR2, FAAH PLEC 2850/4885CNR1 1/4885ALDH1A1 888/4885
US-20080090805-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE CNR1, CNR2, FAAH PLEC 2850/4885CNR1 1/4885ALDH1A1 888/4885

“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.