SCHEMBL5058689

SCHEMBL5058689

Cc1ccc(CNC(=O)c2ccc3c(c2)N=C(c2sccc2C)c2ccccc2S3)o1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.52
PKM P14618 2/20 0.52
ALDH1A1 P00352 2/20 0.52
PLA2G1B P04054 4/20 0.51
ATG4B Q9Y4P1 2/20 0.51
HTT P42858 2/20 0.51
CNR1 P21554 8/20 0.49
CNR2 P34972 2/20 0.49
TP53 P04637 3/20 0.48
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
RAB9A P51151 1/20 0.47
KDM4E B2RXH2 2/20 0.45
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 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
SCHEMBL5062640 0.88 LMNA (0.68) LMNAPKMALDH1A1PLA2G1BATG4B
SCHEMBL5064625 0.87 MAPT (0.52) LMNAPKMALDH1A1PLA2G1BATG4B
SCHEMBL5064738 0.85 CNR1 (0.49) LMNAPKMALDH1A1PLA2G1BATG4B
SCHEMBL5058775 0.85 TP53 (0.66) LMNAALDH1A1PLA2G1BATG4BHTT
SCHEMBL5057348 0.85 CNR1 (0.53) LMNAPKMALDH1A1PLA2G1BATG4B
SCHEMBL14043692 0.84 CNR1 (0.57) LMNAPKMALDH1A1PLA2G1BATG4B
SCHEMBL5058687 0.84 POLB (0.56) LMNAPKMALDH1A1PLA2G1BATG4B
SCHEMBL5064771 0.84 CNR1 (0.67) LMNAPKMALDH1A1PLA2G1BATG4B
SCHEMBL5064701 0.84 CNR1 (0.67) LMNAPKMALDH1A1PLA2G1BATG4B
SCHEMBL5054121 0.84 CNR1 (0.68) LMNAPKMALDH1A1PLA2G1BATG4B

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 5 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

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 LMNA 3921/4885PKM 3337/4885ALDH1A1 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.