SCHEMBL18325895

SCHEMBL18325895

NCc1cc2ccc(-c3ccc(C(=O)N4CCC(F)(F)CC4)cn3)cc2o1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 10/20 0.51
▸ PAK4 O96013 2/20 0.48
▸ NAMPT P43490 4/20 0.40
▸ PAK1 Q13153 1/20 0.40
▸ GABRA5 P31644 1/20 0.40
▸ LOXL2 Q9Y4K0 1/20 0.40
▸ STAT3 P40763 2/20 0.37
▸ VNN1 O95497 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
SCHEMBL16379629 0.85 PAK4 (0.48) HRH3PAK4NAMPTPAK1GABRA5
SCHEMBL18325824 0.84 HRH3 (0.43) HRH3PAK4NAMPTPAK1GABRA5
SCHEMBL18325820 0.83 PAK4 (0.54) HRH3PAK4NAMPTPAK1GABRA5
SCHEMBL29611400 0.83 HRH3 (0.42) HRH3PAK4NAMPTPAK1GABRA5
SCHEMBL16346356 0.83 HRH3 (0.42) HRH3PAK4NAMPTPAK1GABRA5
SCHEMBL16379573 0.83 PAK4 (0.42) HRH3PAK4NAMPTGABRA5LOXL2
SCHEMBL16379761 0.82 PAK4 (0.69) HRH3PAK4NAMPTPAK1GABRA5
SCHEMBL29611290 0.81 PAK4 (0.52) HRH3PAK4NAMPTPAK1GABRA5
SCHEMBL16379559 0.81 PAK4 (0.52) HRH3PAK4NAMPTPAK1GABRA5
SCHEMBL16345227 0.81 PAK4 (0.51) HRH3PAK4NAMPTPAK1GABRA5

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-11008309-B2 Substituted benzofuranyl and benzoxazolyl compounds and uses thereof Karyopharm Therapeutics Inc. (US) 2021-05-18 — — 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 HRH3 4677/4885PAK4 2007/4885NAMPT 1663/4885
US-11008309-B2 Substituted benzofuranyl and benzoxazolyl compounds and uses thereof BCL6, MALT1, BTK HRH3 4681/4885PAK4 2260/4885NAMPT 1782/4885
US-10399963-B2 Substituted benzofuranyl and benzoxazolyl compounds and uses thereof BCL6, MALT1, BTK HRH3 4681/4885PAK4 2260/4885NAMPT 1782/4885
US-20210403459-A1 SUBSTITUTED BENZOFURANYL AND BENZOXAZOLYL COMPOUNDS AND USES THEREOF BCL6, MALT1, BTK HRH3 4681/4885PAK4 2260/4885NAMPT 1782/4885

“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.

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