Sugi Predict

Sugi Predict / Compounds / SCHEMBL16379656

SCHEMBL16379656

SCHEMBL16379656

NCc1cc2cc(-c3ccc(C(=O)N4CCC(F)(F)CC4)cc3)cc(-c3cc(F)ccc3F)c2o1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PAK4 O96013 2/20 0.55
▸ NAMPT P43490 1/20 0.55
▸ PAK1 Q13153 1/20 0.55
▸ FASN P49327 5/20 0.38
▸ CNR1 P21554 1/20 0.37
▸ ERN1 O75460 1/20 0.36
▸ HRH3 Q9Y5N1 4/20 0.35
▸ RIPK1 Q13546 2/20 0.35
▸ LIPC P11150 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ LOXL2 Q9Y4K0 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ BCR P11274 1/20 0.34

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
SCHEMBL16379649 0.93 PAK4 (0.55) PAK4NAMPTPAK1FASNCNR1
SCHEMBL18325915 0.91 PAK4 (0.53) PAK4NAMPTPAK1FASNCNR1
SCHEMBL29644810 0.91 PAK4 (0.64) PAK4NAMPTPAK1FASNHRH3
SCHEMBL16379648 0.91 PAK4 (0.64) PAK4NAMPTPAK1FASNHRH3
SCHEMBL16380100 0.90 PAK4 (0.54) PAK4NAMPTPAK1FASNCNR1
SCHEMBL18325920 0.90 PAK4 (0.54) PAK4NAMPTPAK1FASNCNR1
SCHEMBL16380108 0.89 PAK4 (0.54) PAK4NAMPTPAK1FASNERN1
SCHEMBL16380096 0.89 PAK4 (0.54) PAK4NAMPTPAK1FASNCNR1
SCHEMBL16379654 0.88 PAK4 (0.57) PAK4NAMPTPAK1FASNERN1
SCHEMBL16379810 0.88 PAK4 (0.50) PAK4NAMPTPAK1FASNCNR1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210403459-A1 SUBSTITUTED BENZOFURANYL AND BENZOXAZOLYL COMPOUNDS AND USES THEREOF Karyopharm Therapeutics Inc. 2021-12-30 — — US disclosed
US-10399963-B2 Substituted benzofuranyl and benzoxazolyl compounds and uses thereof Karyopharm Therapeutics Inc. (US) 2019-09-03 — — US disclosed
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
US-20160368904-A1 SUBSTITUTED BENZOFURANYL AND BENZOXAZOLYL COMPOUNDS AND USES THEREOF Karyopharm Therapeutics Inc. 2016-12-22 — — US disclosed
WO-2015003166-A1 SUBSTITUTED BENZOFURANYL AND BENZOXAZOLYL COMPOUNDS AND USES THEREOF Karyopharm Therapeutics Inc. (US) 2015-01-08 — — WO 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 (3 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
US-10399963-B2 Substituted benzofuranyl and benzoxazolyl compounds and uses thereof BCL6, MALT1, BTK PAK4 2260/4885NAMPT 1782/4885PAK1 3233/4885
US-20210403459-A1 SUBSTITUTED BENZOFURANYL AND BENZOXAZOLYL COMPOUNDS AND USES THEREOF BCL6, MALT1, BTK PAK4 2260/4885NAMPT 1782/4885PAK1 3233/4885

“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.