SCHEMBL9757067

SCHEMBL9757067

Cc1cncc(/C=C/C(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.48
RAB9A P51151 1/20 0.45
HDAC3 O15379 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC9 Q9UKV0 2/20 0.44
HDAC5 Q9UQL6 2/20 0.44
TNKS O95271 1/20 0.44
TNKS2 Q9H2K2 1/20 0.44
KDM4E B2RXH2 6/20 0.42
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 4/20 0.42
HPGD P15428 3/20 0.42
PKM P14618 2/20 0.42

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
SCHEMBL9757071 1.00 HCAR2 (0.48) HCAR2RAB9AHDAC3HDAC4HDAC1
SCHEMBL17169839 0.85 TDP1 (0.46) HCAR2RAB9AHDAC1KDM4EALDH1A1
SCHEMBL31458404 0.84 DYRK1A (0.44) HCAR2RAB9AHDAC1KDM4EPTGS1
SCHEMBL15115434 0.84 C3AR1 (0.43) HCAR2RAB9AHDAC1HDAC6KDM4E
SCHEMBL12750396 0.81 KDM4E (0.51) HCAR2HDAC1KDM4EALDH1A1HSD17B10
SCHEMBL5208565 0.80 HDAC1 (0.61) RAB9AHDAC1HDAC6PTGS2PIM2
SCHEMBL5208573 0.80 HDAC1 (0.61) RAB9AHDAC1HDAC6PTGS2PIM2
SCHEMBL6152908 0.79 CA12 (0.52) HCAR2RAB9AHDAC3HDAC4HDAC1
SCHEMBL6152906 0.79 CA12 (0.52) HCAR2RAB9AHDAC3HDAC4HDAC1
SCHEMBL15115412 0.78 ATM (0.42) HCAR2HDAC1KDM4ESMN1; SMN2PTGS1

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 11 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-9938258-B2 Substituted 2,3-dihydrobenzofuranyl compounds and uses thereof Karyopharm Therapeutics Inc. (US) 2018-04-10 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-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
WO-2014085607-A1 SUBSTITUTED 2,3-DIHYDROBENZOFURANYL COMPOUNDS AND USES THEREOF Karyopharm Therapeutics Inc. (US) 2014-06-05 WO disclosed
WO-2014085607-A1 SUBSTITUTED 2,3-DIHYDROBENZOFURANYL COMPOUNDS AND USES THEREOF Karyopharm Therapeutics Inc. (US) 2014-06-05 WO disclosed
US-20130184313-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2013-07-18 US disclosed
US-5039684-A Absorption when administered orally VALEAS S. P. A. (IT) 1991-08-13 US disclosed
EP-0384450-A1 Tetrazole amide derivatives of heterocyclic alkenyl acids and their use as antiallergic substances VALEAS S.p.A. INDUSTRIA CHIMICA E FARMACEUTICA (IT) 1990-08-29 EP 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-20160221994-A1 Substituted 2,3-Dihydrobenzofuranyl Compounds And Uses Thereof BCL6, MALT1, BCL3 HCAR2 3625/4885RAB9A 1390/4885HDAC3 1002/4885
US-20130184313-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF CHRNG, CHRNA5, CHRNA2 HCAR2 47/4885RAB9A 3265/4885HDAC3 557/4885

“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.