SCHEMBL718647

SCHEMBL718647

[CH]=Cc1nc2ccccc2[nH]1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.59
NPC1 O15118 10/20 0.59
RAB9A P51151 10/20 0.59
KDM4E B2RXH2 7/20 0.59
SMN1; SMN2 Q16637 6/20 0.59
MEN1 O00255 6/20 0.59
KMT2A Q03164 6/20 0.59
HPGD P15428 5/20 0.59
PKM P14618 4/20 0.59
HSP90AA1 P07900 1/20 0.59
NPSR1 Q6W5P4 3/20 0.54
TP53 P04637 2/20 0.54
ABCB11 O95342 1/20 0.54
HSD17B10 Q99714 1/20 0.54
MAPT P10636 5/20 0.53
LMNA P02545 4/20 0.53
GAA P10253 4/20 0.53
HTT P42858 3/20 0.53
GLA P06280 2/20 0.53
NFKB1 P19838 2/20 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
SCHEMBL1086985 0.83 ALDH1A1 (0.81) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL29539476 0.83 ALDH1A1 (0.81) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL1086983 0.83 ALDH1A1 (0.81) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL19119423 0.83 ALDH1A1 (0.63) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL29881928 0.80 ALDH1A1 (0.66) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL28820772 0.80 ALDH1A1 (0.66) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL3081168 0.79 ALDH1A1 (0.59) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL291450 0.79 ALDH1A1 (0.59) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL18422383 0.79 ALDH1A1 (0.59) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL376644 0.79 ALDH1A1 (0.59) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150202185-A1 COMPOSITIONS AND METHODS FOR TREATING LYSOSOMAL DISORDERS TAIJI BIOMEDICAL, INC. 2015-07-23 US claimed
US-20130012539-A1 Compositions and Methods for Treating Lysosomal Disorders THE HOSPITAL FOR SICK CHILDREN (CA) 2013-01-10 US claimed
EP-2211856-A1 COMPOSITIONS AND METHODS FOR TREATING LYSOSOMAL DISORDERS The Hospital For Sick Children (CA) 2010-08-04 EP claimed
EP-2082740-A2 Use of imidazole derivatives as MDR modulators Taiji Biomedical, Inc. (US) 2009-07-29 EP claimed
US-20090163500-A1 COMPOSITIONS AND METHODS FOR TREATING LYSOSOMAL DISORDERS THE HOSPITAL FOR SICK CHILDREN (CA) 2009-06-25 US claimed
WO-2009073564-A1 COMPOSITIONS AND METHODS FOR TREATING LYSOSOMAL DISORDERS THE HOSPITAL FOR SICK CHILDREN (CA) 2009-06-11 WO claimed
US-20070203215-A1 Methods & Compositions For Enhancing Pharmaceutical Treatments TAIJI BIOMEDICAL, INC. (US) 2007-08-30 US claimed
EP-0999835-A4 IMIDAZOLE DERIVATIVES AS MDR MODULATORS ONTOGEN CORP (US) 2004-08-25 EP claimed
US-20020147197-A1 Methods and compositions for enhancing pharmaceutical treatments TAIJI BIOMEDICAL, INC. 2002-10-10 US claimed
EP-0999835-A1 IMIDAZOLE DERIVATIVES AS MDR MODULATORS Ontogen Corporation (US) 2000-05-17 EP claimed
WO-1999002155-A1 IMIDAZOLE DERIVATIVES AS MDR MODULATORS ONTOGEN CORPORATION (US) 1999-01-21 WO claimed
US-20150202185-A1 COMPOSITIONS AND METHODS FOR TREATING LYSOSOMAL DISORDERS TAIJI BIOMEDICAL, INC. 2015-07-23 US disclosed
US-9023845-B2 Compositions and methods for treating lysosomal disorders NEURALTUS PHARMACEUTICALS, INC. (US) 2015-05-05 US disclosed
US-20150044193-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF ALTERED a-SYNUCLEIN FUNCTION NEURALTUS PHARMACEUTICALS, INC. 2015-02-12 US disclosed
US-20130012539-A1 Compositions and Methods for Treating Lysosomal Disorders THE HOSPITAL FOR SICK CHILDREN (CA) 2013-01-10 US disclosed
EP-0999835-A4 IMIDAZOLE DERIVATIVES AS MDR MODULATORS ONTOGEN CORP (US) 2004-08-25 EP disclosed
US-20020147197-A1 Methods and compositions for enhancing pharmaceutical treatments TAIJI BIOMEDICAL, INC. 2002-10-10 US disclosed
EP-0999835-A1 IMIDAZOLE DERIVATIVES AS MDR MODULATORS Ontogen Corporation (US) 2000-05-17 EP disclosed
WO-1999002155-A1 IMIDAZOLE DERIVATIVES AS MDR MODULATORS ONTOGEN CORPORATION (US) 1999-01-21 WO disclosed
US-5840721-A INCREASE SENSITIVITY OF MULTIDRUG RESISTANT TUMOR CELLS TO ANTICANCER AGENTS ONTOGEN CORPORATION (US) 1998-11-24 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-20090163500-A1 COMPOSITIONS AND METHODS FOR TREATING LYSOSOMAL DISORDERS GAA, GBA1, LIPA ALDH1A1 2806/4885NPC1 15/4885RAB9A 252/4885
US-20150044193-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF ALTERED a-SYNUCLEIN FUNCTION SNCA, PARK7, NLN ALDH1A1 2054/4885NPC1 153/4885RAB9A 759/4885
US-20130012539-A1 Compositions and Methods for Treating Lysosomal Disorders GAA, GBA1, LIPA ALDH1A1 2806/4885NPC1 15/4885RAB9A 252/4885
US-20070203215-A1 Methods & Compositions For Enhancing Pharmaceutical Treatments TUBB3, TUBB1, TUBB2A ALDH1A1 1641/4885NPC1 45/4885RAB9A 1628/4885
US-20020147197-A1 Methods and compositions for enhancing pharmaceutical treatments TUBB3, TUBB1, TUBB2A ALDH1A1 1805/4885NPC1 62/4885RAB9A 2063/4885
US-20150202185-A1 COMPOSITIONS AND METHODS FOR TREATING LYSOSOMAL DISORDERS GAA, GBA1, LIPA ALDH1A1 2806/4885NPC1 15/4885RAB9A 252/4885

“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.