SCHEMBL719079

SCHEMBL719079

C=[C]c1nc2ccccc2s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.50
ALDH1A1 P00352 4/20 0.48
HSD17B10 Q99714 2/20 0.48
ADRA2A P08913 1/20 0.48
FBP1 P09467 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
DRD2 P14416 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
DRD1 P21728 1/20 0.48
MC5R P33032 1/20 0.48
OPRM1 P35372 1/20 0.48
DRD3 P35462 1/20 0.48
OPRK1 P41145 1/20 0.48
CCR2 P41597 1/20 0.48
HTR6 P50406 1/20 0.48
SLC6A3 Q01959 1/20 0.48
PDK1 Q15118 1/20 0.48

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
SCHEMBL3096380 0.79 IDO1 (0.50) IDO1ALDH1A1HSD17B10ADRA2AFBP1
SCHEMBL492446 0.79 PSMB8 (0.53) IDO1ALDH1A1HSD17B10ADRA2AFBP1
SCHEMBL15874315 0.79 IDO1 (0.50) IDO1ALDH1A1HSD17B10ADRA2AFBP1
SCHEMBL29800442 0.79 IDO1 (0.50) IDO1ALDH1A1HSD17B10ADRA2AFBP1
SCHEMBL221981 0.79 ALDH1A1 (0.51) IDO1ALDH1A1HSD17B10ADRA2AFBP1
SCHEMBL30938811 0.79 PSMB8 (0.53) IDO1ALDH1A1HSD17B10ADRA2AFBP1
SCHEMBL5092877 0.79 IDO1 (0.50) IDO1ALDH1A1HSD17B10ADRA2AFBP1
SCHEMBL1436096 0.78 IDO1 (0.48) IDO1ALDH1A1HSD17B10ADRA2AFBP1
SCHEMBL6002818 0.76 IDO1 (0.43) IDO1ALDH1A1HSD17B10ADRA2AFBP1
SCHEMBL27890456 0.75 NPC1 (0.47) IDO1ALDH1A1HSD17B10ADRA2AFBP1

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 IDO1 3258/4885ALDH1A1 2806/4885HSD17B10 1876/4885
US-20150044193-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF ALTERED a-SYNUCLEIN FUNCTION SNCA, PARK7, NLN IDO1 3945/4885ALDH1A1 2054/4885HSD17B10 742/4885
US-20130012539-A1 Compositions and Methods for Treating Lysosomal Disorders GAA, GBA1, LIPA IDO1 3258/4885ALDH1A1 2806/4885HSD17B10 1876/4885
US-20070203215-A1 Methods & Compositions For Enhancing Pharmaceutical Treatments TUBB3, TUBB1, TUBB2A IDO1 4850/4885ALDH1A1 1641/4885HSD17B10 3778/4885
US-20020147197-A1 Methods and compositions for enhancing pharmaceutical treatments TUBB3, TUBB1, TUBB2A IDO1 4805/4885ALDH1A1 1805/4885HSD17B10 3952/4885
US-20150202185-A1 COMPOSITIONS AND METHODS FOR TREATING LYSOSOMAL DISORDERS GAA, GBA1, LIPA IDO1 3258/4885ALDH1A1 2806/4885HSD17B10 1876/4885

“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.