SCHEMBL5064591

SCHEMBL5064591

CCCCOC(=O)c1ccc2c(c1)N=C(c1ccc(Cl)cc1)c1c(cc(Cl)cc1C(N)=O)S2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 0.51
CNR2 P34972 2/20 0.44
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 2/20 0.39
ESR1 P03372 4/20 0.38
LMNA P02545 2/20 0.37
CYP1A2 P05177 2/20 0.37
TSHR P16473 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
PDE4D Q08499 1/20 0.37
CYP2D6 P10635 1/20 0.35
MAPK1 P28482 1/20 0.35
NR1H2 P55055 1/20 0.35
RNASEL Q05823 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 1/20 0.35
MEN1 O00255 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
SCHEMBL5057597 0.88 CNR1 (0.41) CNR1CNR2KDM4EKMT2AESR1
SCHEMBL5057305 0.88 ESR1 (0.42) CNR1CNR2KDM4EKMT2AESR1
SCHEMBL5063096 0.87 CNR1 (0.44) CNR1CNR2KDM4EKMT2AESR1
SCHEMBL5058769 0.87 CNR1 (0.47) CNR1CNR2KMT2ALMNASMN1; SMN2
SCHEMBL5062662 0.86 CNR1 (0.47) CNR1CNR2KDM4EPOLBKMT2A
SCHEMBL5054098 0.85 CNR1 (0.45) CNR1CNR2KDM4EESR1LMNA
SCHEMBL5064791 0.84 CNR1 (0.56) CNR1CNR2KMT2AESR1LMNA
SCHEMBL5064695 0.83 CNR1 (0.53) CNR1CNR2KMT2AESR1LMNA
SCHEMBL5064769 0.81 CNR1 (0.49) CNR1CNR2ESR1LMNACYP1A2
SCHEMBL5057364 0.81 CNR1 (0.51) CNR1CNR2KMT2AESR1LMNA

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 CNR1 1/4885CNR2 2/4885KDM4E 2248/4885
US-20080090805-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE CNR1, CNR2, FAAH CNR1 1/4885CNR2 2/4885KDM4E 2248/4885

“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.