SCHEMBL250338

SCHEMBL250338

COc1cc2ccccc2[nH]c1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.59
KDM4E B2RXH2 7/20 0.56
ALDH1A1 P00352 6/20 0.56
NPSR1 Q6W5P4 3/20 0.56
MAPT P10636 3/20 0.56
RAB9A P51151 3/20 0.56
HPGD P15428 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
DAO P14920 1/20 0.55
DDO Q99489 1/20 0.55
GRIN2D O15399 2/20 0.52
GRIN3B O60391 2/20 0.52
GRIN1 Q05586 2/20 0.52
GRIN2A Q12879 2/20 0.52
GRIN2B Q13224 2/20 0.52
GRIN2C Q14957 2/20 0.52
GRIN3A Q8TCU5 2/20 0.52
CHEK1 O14757 1/20 0.51

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
SCHEMBL31398830 1.00 BRD4 (0.59) BRD4KDM4EALDH1A1NPSR1MAPT
SCHEMBL7532104 0.82 KDM4E (0.65) BRD4KDM4EALDH1A1NPSR1MAPT
SCHEMBL17942036 0.81 DAO (0.55) BRD4KDM4EALDH1A1NPSR1MAPT
SCHEMBL27996514 0.81 KDM4E (0.56) BRD4KDM4EALDH1A1MAPTRAB9A
SCHEMBL7431309 0.79 CYP1A2 (0.56) KDM4EALDH1A1NPSR1MAPTRAB9A
SCHEMBL27457766 0.79 DAO (0.51) BRD4KDM4EALDH1A1NPSR1MAPT
SCHEMBL9408046 0.78 BRD4 (0.51) BRD4KDM4EALDH1A1NPSR1MAPT
SCHEMBL15690308 0.77 GRIN2D (0.49) KDM4EMAPTDAODDOGRIN2D
SCHEMBL15690453 0.77 FLT3 (0.51) KDM4EALDH1A1MAPTHPGDDAO
SCHEMBL9688765 0.77 DAO (0.54) BRD4KDM4EALDH1A1NPSR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9701638-B2 Therapeutic hydroxyquinolones RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-07-11 US disclosed
EP-1797115-B1 A BACTERIAL ATP SYNTHASE BINDING DOMAIN JANSSEN PHARMACEUTICA NV (BE) 2017-06-21 EP disclosed
US-9468669-B2 Methods to treat dysregulated blood glucose disorders REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2016-10-18 US disclosed
US-9468669-B2 Methods to treat dysregulated blood glucose disorders REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2016-10-18 US disclosed
US-20160228515-A1 METHODS TO TREAT DYSREGULATED BLOOD GLUCOSE DISORDERS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2016-08-11 US disclosed
US-20160228515-A1 METHODS TO TREAT DYSREGULATED BLOOD GLUCOSE DISORDERS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2016-08-11 US disclosed
US-9339482-B2 Methods to treat dysregulated blood glucose disorders REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2016-05-17 US disclosed
US-20150150836-A1 METHODS TO TREAT DYSREGULATED BLOOD GLUCOSE DISORDERS REGENTS OF THE UNIVERSITY OF MINNESOTA 2015-06-04 US disclosed
US-8378085-B2 Bacterial ATP synthase binding domain JANSSEN PHARMACEUTICA N.V. (BE) 2013-02-19 US disclosed
US-20120219964-A1 BACTERIAL ATP SYNTHASE BINDING DOMAIN ANDRIES KOENRAAD JOZEF LODEWIJK MARCEL (BE) 2012-08-30 US disclosed
US-8088891-B2 Bacterial ATP synthase binding domain JANSSEN PHARMACEUTICA N.V. (BG) 2012-01-03 US disclosed
US-20090298874-A1 BACTERIAL ATP SYNTHASE BINDING DOMAIN JANSSEN PHARMACEUTICA N.V. (BE) 2009-12-03 US disclosed
EP-1797115-A1 A BACTERIAL ATP SYNTHASE BINDING DOMAIN JANSSEN PHARMACEUTICA N.V. (BE) 2007-06-20 EP disclosed
WO-2006035051-A1 A BACTERIAL ATP SYNTHASE BINDING DOMAIN JANSSEN PHARMACEUTICA N.V. (BE) 2006-04-06 WO disclosed
US-5597922-A Glycine receptor antagonist pharmacophore STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON (US) 1997-01-28 US disclosed
WO-1996004288-A1 GLYCINE RECEPTOR ANTAGONIST PHARMACOPHORE STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON, EUGENE OREGON (US) 1996-02-15 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 (3 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-20090298874-A1 BACTERIAL ATP SYNTHASE BINDING DOMAIN ATP5ME, ATP5F1B, ATP5MG BRD4 1959/4885KDM4E 2369/4885ALDH1A1 3176/4885
US-20150150836-A1 METHODS TO TREAT DYSREGULATED BLOOD GLUCOSE DISORDERS SLC2A4, SLC2A2, SLC2A3 BRD4 2372/4885KDM4E 3795/4885ALDH1A1 813/4885
US-20160228515-A1 METHODS TO TREAT DYSREGULATED BLOOD GLUCOSE DISORDERS SLC2A4, SLC2A2, SLC2A3 BRD4 2372/4885KDM4E 3795/4885ALDH1A1 813/4885

“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.