SCHEMBL1490822

SCHEMBL1490822

N#CCCNC(=O)c1cccc(B(O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
GUSB P08236 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PRKD1 Q15139 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
PADI4 Q9UM07 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL5083356 0.82 HPGD (0.51) ENPP2SMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL1642670 0.82 TRPV1 (0.48) ENPP2GUSB
SCHEMBL1233804 0.81 L3MBTL1 (0.65) SMN1; SMN2L3MBTL1MEN1KMT2AGAA
SCHEMBL2555324 0.81 SMN1; SMN2 (0.51) SMN1; SMN2L3MBTL1MEN1KMT2AHDAC3
SCHEMBL7126373 0.79 TP53BP1 (0.57) SMN1; SMN2GUSBL3MBTL1MEN1KMT2A
SCHEMBL16136527 0.79 SMN1; SMN2 (0.46) SMN1; SMN2GUSBL3MBTL1MEN1KMT2A
SCHEMBL19123098 0.79 SMN1; SMN2 (0.46) SMN1; SMN2GUSBL3MBTL1MEN1KMT2A
SCHEMBL960413 0.79 L3MBTL1 (0.68) SMN1; SMN2L3MBTL1MEN1KMT2AGAA
SCHEMBL12756951 0.79 NPC1 (0.61) SMN1; SMN2MEN1KMT2AHDAC8HDAC6
SCHEMBL15985305 0.79 KMT2A (0.50) SMN1; SMN2L3MBTL1MEN1KMT2AHDAC3

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-8921359-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, INC. (US) 2014-12-30 US disclosed
US-8921359-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, INC. (US) 2014-12-30 US disclosed
EP-2324032-B1 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS INC (US) 2014-10-01 EP disclosed
US-20130317014-A1 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, INC. 2013-11-28 US disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
US-8450308-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, INC. (US) 2013-05-28 US disclosed
US-20090306042-A1 Novel Compounds 010 ASTRAZENECA AB (SE) 2009-12-10 US disclosed
WO-2009074829-A1 PEPTIDYL NITRILES AND USE THEREOF AS DIPEPTIDYL PEPTIDASE I INHIBITORS ASTRAZENECA AB (SE) 2009-06-18 WO disclosed
US-20080255085-A1 Novel Imidazo [4,5-b] Pyridine Derivatives as Inhibitors of Glycogen Synthase Kinase 3 for Use in the Treatment of Dementia and Neurodegenerative Disorders ASTRAZENECA AB (SE) 2008-10-16 US disclosed
EP-1937680-A2 NOVEL IMIDAZO [4,5 -B] PYRIDINE DERIVATIVES AS INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 FOR USE IN THE TREATMENT OF DEMENTIA AND NEURODEGENERATIVE DISORDERS AstraZeneca AB (SE) 2008-07-02 EP disclosed
US-20070259907-A1 ARYL AND ARYLALKYLENYL SUBSTITUTED THIAZOLOQUINOLINES AND THIAZOLONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES COMPANY 2007-11-08 US disclosed
US-20070219228-A1 Aryl substituted imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY 2007-09-20 US disclosed
EP-1812439-A2 KINASE INHIBITORS Takeda San Diego, Inc. (US) 2007-08-01 EP disclosed
WO-2007040438-A2 NOVEL IMIDAZO [4,5 -B] PYRIDINE DERIVATIVES AS INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 FOR USE IN THE TREATMENT OF DEMENTIA AND NEURODEGENERATIVE DISORDERS ASTRAZENECA AB (SE) 2007-04-12 WO disclosed
WO-2006044687-A2 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-04-27 WO disclosed
US-20060084650-A1 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-20 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 (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-20060084650-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 ENPP2 1660/4885SMN1; SMN2 4445/4885GUSB 2365/4885
US-20080255085-A1 Novel Imidazo [4,5-b] Pyridine Derivatives as Inhibitors of Glycogen Synthase Kinase 3 for Use in the Treatment of Dementia and Neurodegenerative Disorders GSK3B, GSK3A, PYGB ENPP2 4149/4885SMN1; SMN2 328/4885GUSB 3393/4885
US-20070259907-A1 ARYL AND ARYLALKYLENYL SUBSTITUTED THIAZOLOQUINOLINES AND THIAZOLONAPHTHYRIDINES IL2, TSLP, IFNG ENPP2 1110/4885SMN1; SMN2 4726/4885GUSB 2670/4885
US-20090306042-A1 Novel Compounds 010 MRGPRX2, F12, TBXA2R ENPP2 103/4885SMN1; SMN2 1830/4885GUSB 2595/4885
US-20070219228-A1 Aryl substituted imidazonaphthyridines IL2, IRF3, EIF2AK2 ENPP2 1232/4885SMN1; SMN2 3309/4885GUSB 1675/4885
US-20130317014-A1 INHIBITORS OF BETA-SECRETASE BACE1, BACE2, APP ENPP2 642/4885SMN1; SMN2 769/4885GUSB 208/4885

“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.