SCHEMBL18325933

SCHEMBL18325933

CCc1cc2cc(-c3ccc(C(=O)N4CCC(F)(F)CC4)cc3F)cc(-c3cccc(Cl)c3)c2o1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 2/20 0.42
NAMPT P43490 1/20 0.42
PAK1 Q13153 1/20 0.42
HPGD P15428 2/20 0.41
FASN P49327 1/20 0.40
HTR1A P08908 10/20 0.38
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ADRA1A P35348 3/20 0.36
MGLL Q99685 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 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
SCHEMBL16379992 0.92 PAK4 (0.44) PAK4NAMPTPAK1HPGDFASN
SCHEMBL18325932 0.92 PAK4 (0.45) PAK4NAMPTPAK1HPGDHTR1A
SCHEMBL18325934 0.91 PAK4 (0.44) PAK4NAMPTPAK1FASNHTR1A
SCHEMBL18325928 0.91 PAK4 (0.47) PAK4NAMPTPAK1HPGDFASN
SCHEMBL18325914 0.90 PAK4 (0.49) PAK4NAMPTPAK1HPGDFASN
SCHEMBL18325929 0.88 PAK4 (0.53) PAK4NAMPTPAK1FASNMGLL
SCHEMBL18325926 0.87 PAK4 (0.41) PAK4NAMPTPAK1FASNHTR1A
SCHEMBL18325924 0.87 PAK4 (0.45) PAK4NAMPTPAK1HPGDHTR1A
SCHEMBL18325925 0.87 PAK4 (0.47) PAK4NAMPTPAK1FASNHTR1A
SCHEMBL16379993 0.86 PAK4 (0.45) PAK4NAMPTPAK1HPGDFASN

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.