SCHEMBL12499655

SCHEMBL12499655

O=C(O)C=Cc1ccnnc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 1/20 0.53
HCAR2 Q8TDS4 4/20 0.52
HDAC3 O15379 2/20 0.52
HDAC4 P56524 2/20 0.52
HDAC1 Q13547 2/20 0.52
HDAC7 Q8WUI4 2/20 0.52
HDAC2 Q92769 2/20 0.52
HDAC10 Q969S8 2/20 0.52
HDAC11 Q96DB2 2/20 0.52
HDAC8 Q9BY41 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
HDAC9 Q9UKV0 2/20 0.52
HDAC5 Q9UQL6 2/20 0.52
TNKS O95271 1/20 0.52
TNKS2 Q9H2K2 1/20 0.52
CA12 O43570 2/20 0.48
AKR1B10 O60218 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA3 P07451 2/20 0.48

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
SCHEMBL12499653 1.00 P4HTM (0.53) P4HTMHCAR2HDAC3HDAC4HDAC1
SCHEMBL9104771 0.78 CA12 (0.54) HCAR2CA12CA1CA2CA7
SCHEMBL9104763 0.78 CA12 (0.54) HCAR2CA12CA1CA2CA7
SCHEMBL333510 0.77 NFKB1 (0.72) P4HTMHCAR2HDAC3HDAC4HDAC1
SCHEMBL333511 0.77 NFKB1 (0.72) P4HTMHCAR2HDAC3HDAC4HDAC1
SCHEMBL5717836 0.77 NFKB1 (0.72) P4HTMHCAR2HDAC3HDAC4HDAC1
SCHEMBL10517082 0.77 JUN (0.42) P4HTMHCAR2CA12CA2CA9
Hydrochloric Acid SCHEMBL7439430 0.75 NFKB1 (0.69) P4HTMHCAR2HDAC3HDAC4HDAC1
Hydrochloric Acid SCHEMBL7439425 0.75 NFKB1 (0.69) P4HTMHCAR2HDAC3HDAC4HDAC1
SCHEMBL334614 0.74 RAB9A (0.76) HCAR2HDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9938258-B2 Substituted 2,3-dihydrobenzofuranyl compounds and uses thereof Karyopharm Therapeutics Inc. (US) 2018-04-10 US disclosed
US-9765054-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2017-09-19 US disclosed
US-20160221994-A1 Substituted 2,3-Dihydrobenzofuranyl Compounds And Uses Thereof Karyopharm Therapeutics Inc. 2016-08-04 US disclosed
EP-2925750-A1 SUBSTITUTED 2,3-DIHYDROBENZOFURANYL COMPOUNDS AND USES THEREOF Karyopharm Therapeutics, Inc. (US) 2015-10-07 EP disclosed
US-20140163009-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI Foundation (US) 2014-06-12 US disclosed
WO-2014085607-A1 SUBSTITUTED 2,3-DIHYDROBENZOFURANYL COMPOUNDS AND USES THEREOF Karyopharm Therapeutics Inc. (US) 2014-06-05 WO disclosed
EP-2667709-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI Foundation, Inc. (US) 2013-12-04 EP disclosed
WO-2012103008-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. (US) 2012-08-02 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 (2 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-20140163009-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF HDAC1, HDAC7, HDAC5 P4HTM 1815/4885HCAR2 1478/4885HDAC3 5/4885
US-20160221994-A1 Substituted 2,3-Dihydrobenzofuranyl Compounds And Uses Thereof BCL6, MALT1, BCL3 P4HTM 499/4885HCAR2 3625/4885HDAC3 1002/4885

“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.