SCHEMBL5057752

SCHEMBL5057752

O=C(NCc1ccco1)c1ccc2c(c1)N=C(c1ccc(Cl)cc1)c1ccccc1S2

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.69
ALDH1A1 P00352 2/20 0.69
PKM P14618 2/20 0.69
PLA2G1B P04054 4/20 0.68
MAPT P10636 3/20 0.68
KDM4E B2RXH2 2/20 0.68
CNR1 P21554 8/20 0.68
ATG4B Q9Y4P1 2/20 0.67
HTT P42858 2/20 0.67
RAB9A P51151 2/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
CNR2 P34972 2/20 0.56
NPC1 O15118 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL5057186 0.91 CNR1 (0.70) LMNAALDH1A1PKMPLA2G1BMAPT
SCHEMBL5064864 0.91 CNR1 (0.69) LMNAALDH1A1PKMPLA2G1BMAPT
SCHEMBL5057762 0.91 LMNA (0.69) LMNAALDH1A1PKMPLA2G1BMAPT
SCHEMBL5058712 0.89 LMNA (0.71) LMNAALDH1A1PKMPLA2G1BMAPT
SCHEMBL5054245 0.86 CNR1 (0.77) LMNAMAPTCNR1SMN1; SMN2CNR2
SCHEMBL5054121 0.86 CNR1 (0.68) LMNAALDH1A1PKMPLA2G1BMAPT
SCHEMBL5058776 0.86 CNR1 (0.70) LMNAALDH1A1PKMPLA2G1BMAPT
SCHEMBL5057533 0.86 LMNA (0.67) LMNAALDH1A1PKMPLA2G1BMAPT
SCHEMBL5057669 0.85 LMNA (0.71) LMNAALDH1A1PKMPLA2G1BMAPT
SCHEMBL5064877 0.85 CNR1 (0.69) LMNAALDH1A1PKMPLA2G1BMAPT

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 9 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
US-20070105819-A1 CB-1 modulating compounds and their use ACADIA PHARMACEUTICALS, INC. 2007-05-10 US disclosed
US-20070105819-A1 CB-1 modulating compounds and their use ACADIA PHARMACEUTICALS, INC. 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

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 LMNA 3921/4885ALDH1A1 888/4885PKM 3337/4885
US-20080090805-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE CNR1, CNR2, FAAH LMNA 3921/4885ALDH1A1 888/4885PKM 3337/4885

“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.