SCHEMBL18325910

SCHEMBL18325910

CCc1cc2cc(-c3ccc(C(=O)N4CCC(F)(F)CC4)cc3)cc(-c3ccc(Cl)cc3F)c2o1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 2/20 0.48
NAMPT P43490 1/20 0.48
PAK1 Q13153 1/20 0.48
FASN P49327 5/20 0.48
MGLL Q99685 2/20 0.37
GPR183 P32249 2/20 0.35
HPGD P15428 1/20 0.35
HRH3 Q9Y5N1 2/20 0.35
HTR1A P08908 1/20 0.35
CNR1 P21554 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ERN1 O75460 1/20 0.35

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
SCHEMBL16379810 0.92 PAK4 (0.50) PAK4NAMPTPAK1FASNMGLL
SCHEMBL18325907 0.91 PAK4 (0.53) PAK4NAMPTPAK1FASNMGLL
SCHEMBL18325916 0.90 PAK4 (0.53) PAK4NAMPTPAK1FASNGPR183
SCHEMBL18325870 0.90 PAK4 (0.48) PAK4NAMPTPAK1FASNHRH3
SCHEMBL18325886 0.89 PAK4 (0.51) PAK4NAMPTPAK1FASNHTR1A
SCHEMBL18325928 0.88 PAK4 (0.47) PAK4NAMPTPAK1FASNMGLL
SCHEMBL18325913 0.88 PAK4 (0.52) PAK4NAMPTPAK1FASNHRH3
SCHEMBL18325915 0.88 PAK4 (0.53) PAK4NAMPTPAK1FASNHPGD
SCHEMBL18325912 0.88 PAK4 (0.52) PAK4NAMPTPAK1FASNHRH3
SCHEMBL18325902 0.88 PAK4 (0.45) PAK4NAMPTPAK1FASNHPGD

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-9856241-B2 Substituted benzofuranyl and benzoxazolyl compounds and uses thereof Karyopharm Therapeutics Inc. (US) 2018-01-02 US disclosed
US-20160368904-A1 SUBSTITUTED BENZOFURANYL AND BENZOXAZOLYL COMPOUNDS AND USES THEREOF Karyopharm Therapeutics Inc. 2016-12-22 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-20160368904-A1 SUBSTITUTED BENZOFURANYL AND BENZOXAZOLYL COMPOUNDS AND USES THEREOF BCL6, MALT1, BTK PAK4 2007/4885NAMPT 1663/4885PAK1 3040/4885

“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.