SCHEMBL5887462

SCHEMBL5887462

COc1ccc(C2=C(SC(F)(F)F)C(c3ccc(Cl)c(Cl)c3)=CC[CH]2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.33
RAD51 Q06609 2/20 0.33
GUSB P08236 1/20 0.32
EIF4E P06730 1/20 0.32
TEK Q02763 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
NFKB1 P19838 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SRC P12931 1/20 0.31
MAOB P27338 1/20 0.31
CLK1 P49759 1/20 0.30
CLK2 P49760 1/20 0.30
DYRK1A Q13627 1/20 0.30
CLK4 Q9HAZ1 1/20 0.30

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
SCHEMBL5887178 0.82 AHR (0.31) MAOB
SCHEMBL5887161 0.81 LTA4H (0.42) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL5887298 0.80 RAD51 (0.40) EGFRRAD51GUSBTEKSRC
SCHEMBL5887645 0.79 RAD51 (0.37) EGFRRAD51GUSBTEKSMN1; SMN2
SCHEMBL5887524 0.79 RAD51 (0.37) EGFRRAD51GUSBTEKSMN1; SMN2
SCHEMBL5887338 0.78 EGFR (0.41) EGFRRAD51GUSBTEKSRC
SCHEMBL5887361 0.76 RAD51 (0.40) EGFRRAD51GUSBEIF4ETEK
SCHEMBL5887082 0.74 CLK4 (0.35) EGFRRAD51GUSBTEKKDM4E
SCHEMBL5887174 0.74 MAPT (0.39) EGFRRAD51GUSBEIF4EALDH1A1
SCHEMBL5887386 0.74 RAD51 (0.36) EGFRRAD51GUSBEIF4ETEK

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 2 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-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 (1 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 EGFR 563/4885RAD51 2282/4885GUSB 4701/4885

“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.