SCHEMBL7861893

SCHEMBL7861893

O=C(Nc1ccc(Br)cc1Br)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.69
HDAC1 Q13547 1/20 0.58
HDAC8 Q9BY41 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
TP53 P04637 2/20 0.57
HDAC2 Q92769 1/20 0.56
AKR1C4 P17516 1/20 0.56
AKR1C3 P42330 1/20 0.56
AKR1C2 P52895 1/20 0.56
AKR1C1 Q04828 1/20 0.56
NPC1 O15118 1/20 0.55
ALDH1A1 P00352 1/20 0.55
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
GPR35 Q9HC97 1/20 0.53
RXFP1 Q9HBX9 2/20 0.53
HIF1A Q16665 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53

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
SCHEMBL16936176 0.86 HDAC1 (0.71) MAPTHDAC1HDAC8HDAC6MEN1
SCHEMBL11514576 0.85 PLK1 (0.70) MAPTNPC1ALDH1A1RAB9ARXFP1
SCHEMBL4158650 0.83 HDAC1 (0.58) MAPTHDAC1MEN1KMT2ANPC1
SCHEMBL9513479 0.83 MAPT (0.80) MAPTMEN1KMT2AAKR1C4AKR1C3
SCHEMBL15789123 0.83 DHODH (0.72) MAPTHDAC1HDAC8HDAC6MEN1
SCHEMBL24252964 0.83 MAPT (0.66) MAPTHDAC1HDAC8HDAC6MEN1
SCHEMBL29434785 0.83 DHODH (0.72) MAPTHDAC1HDAC8HDAC6MEN1
SCHEMBL2898181 0.83 GAA (0.70) MAPTHDAC1HDAC8HDAC6MEN1
SCHEMBL29175040 0.83 SMN1; SMN2 (0.66) MAPTHDAC1HDAC8HDAC6MEN1
SCHEMBL336750 0.82 MAPT (0.68) MAPTHDAC1HDAC8HDAC6MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11160773-B2 Method for enhancing folding and transport of misfolded glucocerebrosidase THE HOSPITAL FOR SICK CHILDREN (CA) 2021-11-02 US disclosed
EP-2897185-B1 Organic light-emitting device SAMSUNG DISPLAY CO LTD (KR) 2020-12-16 EP disclosed
EP-2897185-B1 Organic light-emitting device SAMSUNG DISPLAY CO LTD (KR) 2020-12-16 EP disclosed
US-20200246282-A1 Method for Enhancing Folding and Transport of Misfolded Glucocerebrosidase THE HOSPITAL FOR SICK CHILDREN (CA) 2020-08-06 US disclosed
US-10653645-B2 Method for enhancing folding and transport of misfolded glucocerebrosidase THE HOSPITAL FOR SICK CHILDREN (CA) 2020-05-19 US disclosed
CN-104795504-B Organic light emitting apparatus 三星显示有限公司 2018-12-07 CN disclosed
US-10028922-B2 Method for enhancing folding and transport of misfolded glucocerebrosidase THE HOSPITAL FOR SICK CHILDREN (CA) 2018-07-24 US disclosed
US-10028922-B2 Method for enhancing folding and transport of misfolded glucocerebrosidase THE HOSPITAL FOR SICK CHILDREN (CA) 2018-07-24 US disclosed
WO-2018117493-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2018-06-28 WO disclosed
US-9543538-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2017-01-10 US disclosed
US-20130184352-A1 METHOD OF TREATING GAUCHER DISEASE MCMASTER UNIVERSITY (CA) 2013-07-18 US disclosed
US-20130090388-A1 METHOD OF TREATING GAUCHER DISEASE MCMASTER UNIVERSITY (CA) 2013-04-11 US disclosed
US-20130090388-A1 METHOD OF TREATING GAUCHER DISEASE MCMASTER UNIVERSITY (CA) 2013-04-11 US disclosed
US-8124597-B2 Method of treating gaucher disease THE HOSPITAL FOR SICK CHILDREN (CA) 2012-02-28 US disclosed
US-8124597-B2 Method of treating gaucher disease THE HOSPITAL FOR SICK CHILDREN (CA) 2012-02-28 US disclosed
US-20120021487-A1 METHOD OF TREATING GAUCHER DISEASE MCMASTER UNIVERSITY (CA) 2012-01-26 US disclosed
US-20120021487-A1 METHOD OF TREATING GAUCHER DISEASE MCMASTER UNIVERSITY (CA) 2012-01-26 US disclosed
WO-2009038695-A1 METHOD OF TREATING GAUCHER DISEASE THE HOSPITAL FOR SICK CHILDREN (CA) 2009-03-26 WO disclosed
US-20090075960-A1 Method of treating gaucher disease THE HOSPITAL FOR SICK CHILDREN (CA) 2009-03-19 US disclosed
US-20090075960-A1 Method of treating gaucher disease THE HOSPITAL FOR SICK CHILDREN (CA) 2009-03-19 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 (7 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-20090075960-A1 Method of treating gaucher disease GBA1, GAA, GBA3 MAPT 921/4885HDAC1 785/4885HDAC8 940/4885
US-20200246282-A1 Method for Enhancing Folding and Transport of Misfolded Glucocerebrosidase GBA1, GBA3, GAA MAPT 595/4885HDAC1 2500/4885HDAC8 2322/4885
US-10653645-B2 Method for enhancing folding and transport of misfolded glucocerebrosidase GBA1, GBA3, GAA MAPT 595/4885HDAC1 2500/4885HDAC8 2322/4885
US-11160773-B2 Method for enhancing folding and transport of misfolded glucocerebrosidase GBA1, GBA3, GAA MAPT 595/4885HDAC1 2500/4885HDAC8 2322/4885
US-20130090388-A1 METHOD OF TREATING GAUCHER DISEASE GBA1, GAA, GBA3 MAPT 921/4885HDAC1 785/4885HDAC8 940/4885
US-10028922-B2 Method for enhancing folding and transport of misfolded glucocerebrosidase GBA1, GBA3, GAA MAPT 595/4885HDAC1 2500/4885HDAC8 2322/4885
US-20130184352-A1 METHOD OF TREATING GAUCHER DISEASE GBA1, GAA, GBA3 MAPT 921/4885HDAC1 785/4885HDAC8 940/4885

“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.