SCHEMBL5887168

SCHEMBL5887168

COc1ccc(C2=C(c3ccc(Cl)c(Cl)c3)C[CH]C(F)=C2C(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD51 Q06609 2/20 0.39
RAD1 O60671 1/20 0.35
EIF4E P06730 1/20 0.35
SLC6A3 Q01959 4/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
NFKB1 P19838 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PTGS1 P23219 3/20 0.34
EGFR P00533 2/20 0.34
SLC6A2 P23975 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GUSB P08236 1/20 0.33
PTGS2 P35354 2/20 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
SCHEMBL5887087 0.85 RAD51 (0.41) RAD51RAD1SLC6A3PTGS1EGFR
SCHEMBL5887503 0.81 ALKBH3 (0.40) SLC6A3PTGS1EGFRPTGS2
SCHEMBL5887140 0.80 LTA4H (0.44) NPC1ALDH1A1RAB9ASMN1; SMN2PTGS1
SCHEMBL5887214 0.77 RAD51 (0.46) RAD51RAD1SLC6A3EGFRSLC6A2
SCHEMBL5887361 0.71 RAD51 (0.40) RAD51RAD1EIF4EKDM4ENPC1
SCHEMBL2092168 0.68 AHR (0.61) RAD51NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL5887235 0.68 ALKBH3 (0.36) SLC6A3PTGS2
SCHEMBL5887386 0.66 RAD51 (0.36) RAD51RAD1EIF4EKDM4ENPC1
SCHEMBL5886940 0.63 RAD51 (0.40) RAD51RAD1SMN1; SMN2EGFRGUSB
SCHEMBL5886915 0.63 LTA4H (0.49) NPC1ALDH1A1RAB9ASMN1; SMN2PTGS1

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 RAD51 2282/4885RAD1 2432/4885EIF4E 3024/4885
US-20050026903-A1 CCK-1 receptor modulators CCKAR, CCKBR, GLP1R RAD51 1217/4885RAD1 1222/4885EIF4E 2863/4885

“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.