SCHEMBL4637151

SCHEMBL4637151

O=C(O)c1ccc(Sc2ccc(F)cc2C(=O)O)c([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.54
ALDH1A1 P00352 2/20 0.54
LMNA P02545 3/20 0.53
KDM4E B2RXH2 1/20 0.53
CASP6 P55212 1/20 0.51
POLB P06746 4/20 0.49
BCL2L1 Q07817 1/20 0.49
MAPT P10636 4/20 0.49
MEN1 O00255 2/20 0.48
HPGD P15428 2/20 0.48
KMT2A Q03164 2/20 0.48
PDE7A Q13946 2/20 0.48
TSHR P16473 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
GFER P55789 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TTR P02766 1/20 0.45
HCAR3 P49019 2/20 0.45
GAA P10253 1/20 0.44

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
SCHEMBL4005302 0.91 APEX1 (0.53) APEX1ALDH1A1LMNAKDM4ECASP6
SCHEMBL4002024 0.84 POLB (0.61) APEX1ALDH1A1LMNAKDM4ECASP6
SCHEMBL4003277 0.84 LMNA (0.68) APEX1ALDH1A1LMNAKDM4ECASP6
SCHEMBL18779457 0.84 ALDH1A1 (0.64) APEX1ALDH1A1LMNAKDM4ECASP6
SCHEMBL8533975 0.84 MAPT (0.58) ALDH1A1LMNAPOLBMAPTMEN1
SCHEMBL1645800 0.83 MAPT (0.60) ALDH1A1LMNAKDM4EPOLBBCL2L1
SCHEMBL4433443 0.81 ALDH1A1 (0.52) ALDH1A1MAPTMEN1KMT2APDE7A
SCHEMBL17080222 0.80 HPGD (0.54) ALDH1A1LMNAKDM4EPOLBMAPT
SCHEMBL4437772 0.80 KEAP1 (0.57) APEX1ALDH1A1LMNAKDM4EPOLB
SCHEMBL9537312 0.79 USP7 (0.52) APEX1ALDH1A1LMNACASP6POLB

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 11 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
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 APEX1 4658/4885ALDH1A1 888/4885LMNA 3921/4885
US-20080090805-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE CNR1, CNR2, FAAH APEX1 4658/4885ALDH1A1 888/4885LMNA 3921/4885

“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.