SCHEMBL18325898

SCHEMBL18325898

CCc1cc2cc(-c3ccc(C(=O)N4CCC(F)(F)CC4)cc3)cc(-c3ccncc3)c2o1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 2/20 0.54
NAMPT P43490 1/20 0.54
PAK1 Q13153 1/20 0.54
CYP3A4 P08684 9/20 0.39
CYP2D6 P10635 6/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP46A1 Q9Y6A2 1/20 0.39
FASN P49327 1/20 0.39
USP2 O75604 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
LSS P48449 2/20 0.38
HIF1A Q16665 4/20 0.38
CYP2C19 P33261 3/20 0.38
MAPK1 P28482 2/20 0.38
HRH3 Q9Y5N1 2/20 0.37
CYP1A2 P05177 3/20 0.37
CYP2C9 P11712 3/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC6A7 Q99884 1/20 0.36

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
SCHEMBL18325901 0.91 PAK4 (0.61) PAK4NAMPTPAK1FASNHRH3
SCHEMBL18325911 0.91 PAK4 (0.54) PAK4NAMPTPAK1ALDH1A1HRH3
SCHEMBL18325899 0.90 PAK4 (0.52) PAK4NAMPTPAK1CYP3A4ALDH1A1
SCHEMBL18325916 0.90 PAK4 (0.53) PAK4NAMPTPAK1ALDH1A1FASN
SCHEMBL18325918 0.89 NAMPT (0.49) PAK4NAMPTPAK1CYP3A4CYP2D6
SCHEMBL18325866 0.89 NAMPT (0.51) PAK4NAMPTPAK1CYP3A4CYP2D6
SCHEMBL18325835 0.89 PAK4 (0.57) PAK4NAMPTPAK1CYP46A1HRH3
SCHEMBL18325909 0.88 PAK4 (0.55) PAK4NAMPTPAK1FASNHRH3
SCHEMBL16346148 0.88 NAMPT (0.61) PAK4NAMPTPAK1CYP3A4CYP2D6
SCHEMBL18325908 0.88 PAK4 (0.57) PAK4NAMPTPAK1FASNHRH3

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.