SCHEMBL5886923

SCHEMBL5886923

COc1ccc(C2=C([N+](=O)[O-])C(c3ccc(Oc4ccccc4)cc3)=CC[CH]2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.43
BACE1 P56817 2/20 0.38
PGR P06401 3/20 0.37
HTR7 P34969 1/20 0.37
APP P05067 1/20 0.36
MCL1 Q07820 2/20 0.36
TLR4 O00206 1/20 0.35
TLR2 O60603 1/20 0.35
KMT2A Q03164 3/20 0.34
MAPT P10636 3/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
PTPN1 P18031 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CHEK2 O96017 1/20 0.34
USP2 O75604 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL5887387 0.81 LTA4H (0.51) LTA4HBACE1PGRMCL1KMT2A
SCHEMBL5887174 0.80 MAPT (0.39) HTR7APPMAPTALDH1A1HTT
SCHEMBL5887293 0.80 LTA4H (0.50) LTA4HBACE1PGRMCL1KMT2A
SCHEMBL5887281 0.79 LTA4H (0.49) LTA4HBACE1PGRMCL1KMT2A
SCHEMBL5887002 0.79 LTA4H (0.49) LTA4HBACE1PGRMCL1KMT2A
SCHEMBL5887277 0.76 LTA4H (0.45) LTA4HBACE1MCL1KMT2AMAPT
SCHEMBL5887421 0.75 LTA4H (0.44) LTA4HBACE1PGRMCL1KMT2A
SCHEMBL5887161 0.73 LTA4H (0.42) LTA4HBACE1PGRMCL1KMT2A
SCHEMBL5887283 0.72 BACE1 (0.42) LTA4HBACE1APPMCL1KMT2A
SCHEMBL5887269 0.70 LTA4H (0.46) LTA4HMCL1KMT2AMAPTMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7037931-B2 Corticotropin releasing factor moderator; analgesics; drug abruse, drug dependency; schizophrenia JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-02 US disclosed
US-20050026903-A1 CCK-1 receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-03 US disclosed
US-20050020565-A1 Pyrazole compound; gastrointestinal disorders; central nervous system disorders JONES TODD K (US) 2005-01-27 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-20050020565-A1 Pyrazole compound; gastrointestinal disorders; central nervous system disorders CCKAR, CCKBR, NPY1R LTA4H 3106/4885BACE1 944/4885PGR 244/4885
US-20050026903-A1 CCK-1 receptor modulators CCKAR, CCKBR, GLP1R LTA4H 3360/4885BACE1 1420/4885PGR 153/4885

“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.