SCHEMBL718646

SCHEMBL718646

C=[C]c1nc2ccccc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
KDM4E B2RXH2 3/20 0.54
TP53 P04637 2/20 0.54
PKM P14618 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
HSD17B10 Q99714 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
ABCB11 O95342 1/20 0.54
MASP2 O00187 1/20 0.50
MEN1 O00255 1/20 0.50
NUDT1 P36639 1/20 0.50
KMT2A Q03164 1/20 0.50
AOC3 Q16853 1/20 0.50
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
POLB P06746 2/20 0.46

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
SCHEMBL222527 0.79 ALDH1A1 (0.54) ALDH1A1NPC1RAB9AKDM4ETP53
SCHEMBL31677104 0.79 PSMB8 (0.58) ALDH1A1NPC1RAB9AKDM4ETP53
SCHEMBL2162639 0.79 ALDH1A1 (0.54) ALDH1A1NPC1RAB9AKDM4ETP53
SCHEMBL3081165 0.79 ALDH1A1 (0.54) ALDH1A1NPC1RAB9AKDM4ETP53
SCHEMBL244929 0.79 PSMB8 (0.58) ALDH1A1NPC1RAB9AKDM4ETP53
Lithium SCHEMBL15812806 0.78 PSMB8 (0.56) ALDH1A1NPC1RAB9AKDM4ETP53
SCHEMBL6209371 0.75 TRPV1 (0.51) ALDH1A1NPC1RAB9AKDM4ETP53
SCHEMBL5398 0.71 ALDH1A1 (0.60) ALDH1A1NPC1RAB9AKDM4ETP53
SCHEMBL2589250 0.71 ALDH1A1 (0.60) ALDH1A1NPC1RAB9AKDM4ETP53
SCHEMBL172216 0.70 NPC1 (1.00) ALDH1A1NPC1RAB9AKDM4ETP53

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 30 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.