SCHEMBL5887174

SCHEMBL5887174

COc1ccc(C2=C([N+](=O)[O-])C(c3ccc(Cl)c(Cl)c3)=CC[CH]2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
MAPK1 P28482 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
RAF1 P04049 1/20 0.39
HPGD P15428 1/20 0.39
GFER P55789 1/20 0.39
PAX8 Q06710 1/20 0.39
EIF4E P06730 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RAD51 Q06609 1/20 0.36
EGFR P00533 2/20 0.35
APP P05067 1/20 0.35
HTR7 P34969 1/20 0.34
FAAH O00519 1/20 0.33
SLC6A3 Q01959 1/20 0.33
SRC P12931 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL5887402 0.82 HSD17B10 (0.36) MAPTALDH1A1LMNAGAAHTT
SCHEMBL5887298 0.81 RAD51 (0.40) MAPTRAD51EGFRSRCMAOB
SCHEMBL5887645 0.80 RAD51 (0.37) MAPTHPGDRAD51EGFRSRC
SCHEMBL5887524 0.80 RAD51 (0.37) MAPTHPGDRAD51EGFRSRC
SCHEMBL5886923 0.80 LTA4H (0.43) MAPTMAPK1ALDH1A1HTTAPP
SCHEMBL5887338 0.79 EGFR (0.41) MAPTRAD51EGFRSRCMAOB
SCHEMBL5887082 0.75 CLK4 (0.35) MAPTALDH1A1LMNARAD51EGFR
SCHEMBL5887462 0.74 EGFR (0.33) MAPTALDH1A1EIF4ERAD51EGFR
SCHEMBL5887361 0.70 RAD51 (0.40) ALDH1A1EIF4ENPSR1RAD51EGFR
SCHEMBL5887251 0.70 BACE1 (0.41) MAPTMAPK1APPPKM

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 MAPT 2577/4885MAPK1 305/4885ALDH1A1 1572/4885
US-20050026903-A1 CCK-1 receptor modulators CCKAR, CCKBR, GLP1R MAPT 4745/4885MAPK1 339/4885ALDH1A1 1501/4885

“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.