SCHEMBL4001613

SCHEMBL4001613

O=C(O)c1ccc(Sc2cc(Cl)ccc2C(=O)O)c([N+](=O)[O-])c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BCL2L1 Q07817 2/20 0.60
▸ POLB P06746 2/20 0.60
▸ APEX1 P27695 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ PDE7A Q13946 6/20 0.52
▸ PDE7B Q9NP56 4/20 0.52
▸ LMNA P02545 3/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ CASP6 P55212 1/20 0.50
▸ MAPT P10636 3/20 0.48
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ HPGD P15428 2/20 0.47
▸ PDE4B Q07343 1/20 0.47
▸ PDE4D Q08499 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ GFER P55789 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ PLA2G4A P47712 1/20 0.46

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
SCHEMBL4002024 0.91 POLB (0.61) BCL2L1POLBAPEX1ALDH1A1PDE7A
SCHEMBL4004970 0.85 MAPT (0.52) BCL2L1POLBAPEX1ALDH1A1PDE7A
SCHEMBL4005302 0.85 APEX1 (0.53) BCL2L1POLBAPEX1ALDH1A1PDE7A
SCHEMBL1923978 0.83 BCL2L1 (0.74) BCL2L1POLBAPEX1ALDH1A1PDE7A
SCHEMBL4003277 0.83 LMNA (0.68) BCL2L1POLBAPEX1ALDH1A1LMNA
SCHEMBL4636875 0.82 PDE7A (0.66) BCL2L1POLBPDE7APDE7BLMNA
SCHEMBL28563327 0.79 POLB (0.78) BCL2L1POLBALDH1A1PDE7APDE7B
SCHEMBL20644299 0.79 ALDH1A1 (0.47) BCL2L1POLBAPEX1ALDH1A1PDE7A
SCHEMBL4001773 0.79 ALDH1A1 (0.68) POLBALDH1A1PDE7ALMNAKDM4E
SCHEMBL19984746 0.79 ALDH1A1 (0.58) BCL2L1POLBAPEX1ALDH1A1PDE7A

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 13 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-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
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
EP-1937677-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE Arcadia Pharmaceuticals Inc. (US) 2008-07-02 — — EP 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
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 BCL2L1 1137/4885POLB 4785/4885APEX1 4658/4885
US-20080090805-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE CNR1, CNR2, FAAH BCL2L1 1137/4885POLB 4785/4885APEX1 4658/4885

“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.

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