SCHEMBL2278097

SCHEMBL2278097

CN(C)c1ccc(/C=C/C(=O)O)cn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 1/20 0.58
KCNH2 Q12809 2/20 0.51
HCAR2 Q8TDS4 2/20 0.46
CA12 O43570 2/20 0.46
AKR1B10 O60218 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA3 P07451 2/20 0.46
AKR1B1 P15121 2/20 0.46
CA4 P22748 2/20 0.46
CA6 P23280 2/20 0.46
DPP4 P27487 2/20 0.46
CA5A P35218 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
CA5B Q9Y2D0 2/20 0.46
ESR1 P03372 1/20 0.46
PKM P14618 1/20 0.46
TYR P14679 1/20 0.46

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
SCHEMBL2278107 1.00 P4HTM (0.58) P4HTMKCNH2HCAR2CA12AKR1B10
SCHEMBL18692678 0.87 KCNH2 (0.49) P4HTMKCNH2RAB9AHDAC3HDAC4
SCHEMBL18692681 0.87 KCNH2 (0.49) P4HTMKCNH2RAB9AHDAC3HDAC4
SCHEMBL6643106 0.86 P4HTM (0.54) P4HTMKCNH2HCAR2CA12AKR1B10
SCHEMBL6643113 0.86 P4HTM (0.54) P4HTMKCNH2HCAR2CA12AKR1B10
SCHEMBL29611876 0.85 KCNH2 (0.50) P4HTMKCNH2ESR1RAB9AKDM4E
SCHEMBL10331170 0.84 FOS (0.54) P4HTMKCNH2HDAC1HDAC2HDAC8
SCHEMBL7395616 0.82 P4HTM (0.57) P4HTMHCAR2CA12AKR1B10CA1
SCHEMBL7395620 0.82 P4HTM (0.57) P4HTMHCAR2CA12AKR1B10CA1
SCHEMBL21591548 0.80 CA12 (0.57) KCNH2CA12CA1CA2DPP4

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 31 patents — showing the first 20. 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-9938258-B2 Substituted 2,3-dihydrobenzofuranyl compounds and uses thereof Karyopharm Therapeutics Inc. (US) 2018-04-10 US disclosed
US-9938258-B2 Substituted 2,3-dihydrobenzofuranyl compounds and uses thereof Karyopharm Therapeutics Inc. (US) 2018-04-10 US disclosed
US-9938258-B2 Substituted 2,3-dihydrobenzofuranyl compounds and uses thereof Karyopharm Therapeutics Inc. (US) 2018-04-10 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
US-20160221994-A1 Substituted 2,3-Dihydrobenzofuranyl Compounds And Uses Thereof Karyopharm Therapeutics Inc. 2016-08-04 US disclosed
US-20160221994-A1 Substituted 2,3-Dihydrobenzofuranyl Compounds And Uses Thereof Karyopharm Therapeutics Inc. 2016-08-04 US disclosed
US-20080125423-A1 Fab I Inhibitors DEBIOPHARM INTERNATIONAL SA (CH) 2008-05-29 US disclosed
US-20050250810-A1 FAB I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2005-11-10 US disclosed
US-6846819-B1 Fab I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2005-01-25 US disclosed
EP-1226138-B1 FAB I INHIBITORS AFFINIUM PHARM INC (CA) 2004-12-29 EP disclosed
EP-1226138-A4 FAB I INHIBITORS SMITHKLINE BEECHAM CORP (US) 2003-03-05 EP disclosed
US-6462047-B1 CONTAINING 5- OR 6-MEMBERED OXYGEN, NITROGEN AND/OR SULFUR HETEROARYL GROUP; ANGINA, HYPERTENSION, RESPIRATORY DISTRESS, CONGESTIVE HEART FAILURE, RENAL FAILURE, ATHEROSCLEROSIS, INFLAMMATORY DISEASES, STROKES, BRONCHITIS, ASTHMA ICOS CORPORATION 2002-10-08 US disclosed
EP-1226138-A1 FAB I INHIBITORS SmithKline Beecham Corporation (US) 2002-07-31 EP disclosed
EP-1114048-A1 CARBOLINE DERIVATIVES AS CGMP PHOSPHODIESTERASE INHIBITORS Bombrun, Agnès (FR) 2001-07-11 EP disclosed
WO-2001027103-A1 FAB I INHIBITORS SMITHKLINE BEECHAM CORPORATION (GB) 2001-04-19 WO disclosed
WO-2000015639-A1 CARBOLINE DERIVATIVES AS CGMP PHOSPHODIESTERASE INHIBITORS ICOS CORPORATION (US) 2000-03-23 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 (6 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 P4HTM 1114/4885KCNH2 2131/4885HCAR2 3362/4885
US-20050250810-A1 FAB I inhibitors SERPINB1, TFPI, TFPI2 P4HTM 2790/4885KCNH2 1920/4885HCAR2 3690/4885
US-20160221994-A1 Substituted 2,3-Dihydrobenzofuranyl Compounds And Uses Thereof BCL6, MALT1, BCL3 P4HTM 499/4885KCNH2 2019/4885HCAR2 3625/4885
US-20080125423-A1 Fab I Inhibitors SERPINB1, TFPI, TFPI2 P4HTM 2790/4885KCNH2 1920/4885HCAR2 3690/4885
US-11008309-B2 Substituted benzofuranyl and benzoxazolyl compounds and uses thereof BCL6, MALT1, BTK P4HTM 1018/4885KCNH2 2102/4885HCAR2 3607/4885
US-20210403459-A1 SUBSTITUTED BENZOFURANYL AND BENZOXAZOLYL COMPOUNDS AND USES THEREOF BCL6, MALT1, BTK P4HTM 1018/4885KCNH2 2102/4885HCAR2 3607/4885

“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.