SCHEMBL16345902

SCHEMBL16345902

COc1cc(-c2ccc(C(=O)N3CCC(F)(F)CC3)cc2)cc2cc(N(C)C(=O)O)oc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.39
▸ HPGD P15428 2/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ POLB P06746 3/20 0.39
▸ LRRK2 Q5S007 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ PAK4 O96013 1/20 0.38
▸ NAMPT P43490 1/20 0.38
▸ PAK1 Q13153 1/20 0.38
▸ USP2 O75604 4/20 0.38
▸ HSD17B10 Q99714 4/20 0.38
▸ MAPK1 P28482 3/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ TSHR P16473 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ HIF1A Q16665 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38

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
SCHEMBL19066981 0.89 LRRK2 (0.38) ALDH1A1HPGDKMT2ALRRK2LMNA
SCHEMBL19067053 0.88 PAK4 (0.41) MEN1KMT2APAK4NAMPTPAK1
SCHEMBL18317788 0.88 GABRA5 (0.43) ALDH1A1HPGDLRRK2PAK4GABRA5
SCHEMBL16345738 0.88 KMT2A (0.47) HPGDMEN1KMT2APOLB
SCHEMBL16345913 0.88 PAK4 (0.39) HPGDMEN1KMT2APOLBPAK4
SCHEMBL18317521 0.87 PAK4 (0.39) HPGDKMT2APOLBLRRK2PAK4
SCHEMBL19066854 0.85 ERN1 (0.41) MEN1KMT2APOLBPAK4NAMPT
SCHEMBL16345438 0.85 PAK4 (0.42) ALDH1A1HPGDLRRK2LMNAPAK4
SCHEMBL19066884 0.85 PAK4 (0.52) MEN1KMT2APOLBPAK4NAMPT
SCHEMBL18318616 0.83 PAK4 (0.46) ALDH1A1HPGDPAK4NAMPTPAK1

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 10 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-20200102292-A1 SUBSTITUTED BENZOFURANYL AND BENZOXAZOLYL COMPOUNDS AND USES THEREOF Karyopharm Therapeutics Inc. 2020-04-02 — — US disclosed
US-10399963-B2 Substituted benzofuranyl and benzoxazolyl compounds and uses thereof Karyopharm Therapeutics Inc. (US) 2019-09-03 — — US disclosed
US-20190002448-A1 SUBSTITUTED BENZOFURANYL AND BENZOXAZOLYL COMPOUNDS AND USES THEREOF Karyopharm Therapeutics Inc. 2019-01-03 — — US disclosed
US-20180319779-A1 SUBSTITUTED BENZOFURANYL AND BENZOXAZOLYL COMPOUNDS AND USES THEREOF Karyopharm Therapeutics Inc. 2018-11-08 — — 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
EP-3016946-A1 SUBSTITUTED BENZOFURANYL AND BENZOXAZOLYL COMPOUNDS AND USES THEREOF Karyopharm Therapeutics, Inc. (US) 2016-05-11 — — EP 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 (7 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 ALDH1A1 457/4885HPGD 2138/4885MEN1 1429/4885
US-20180319779-A1 SUBSTITUTED BENZOFURANYL AND BENZOXAZOLYL COMPOUNDS AND USES THEREOF BCL6, MALT1, BTK ALDH1A1 503/4885HPGD 2081/4885MEN1 1533/4885
US-20190002448-A1 SUBSTITUTED BENZOFURANYL AND BENZOXAZOLYL COMPOUNDS AND USES THEREOF BCL6, MALT1, BCL3 ALDH1A1 530/4885HPGD 2307/4885MEN1 1374/4885
US-11008309-B2 Substituted benzofuranyl and benzoxazolyl compounds and uses thereof BCL6, MALT1, BTK ALDH1A1 503/4885HPGD 2081/4885MEN1 1533/4885
US-10399963-B2 Substituted benzofuranyl and benzoxazolyl compounds and uses thereof BCL6, MALT1, BTK ALDH1A1 503/4885HPGD 2081/4885MEN1 1533/4885
US-20210403459-A1 SUBSTITUTED BENZOFURANYL AND BENZOXAZOLYL COMPOUNDS AND USES THEREOF BCL6, MALT1, BTK ALDH1A1 503/4885HPGD 2081/4885MEN1 1533/4885
US-20200102292-A1 SUBSTITUTED BENZOFURANYL AND BENZOXAZOLYL COMPOUNDS AND USES THEREOF BCL6, MALT1, BTK ALDH1A1 503/4885HPGD 2081/4885MEN1 1533/4885

“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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