SCHEMBL486534

SCHEMBL486534

Oc1cccc(Nc2nc(-c3ccncc3)cs2)c1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.82
MAPT P10636 6/20 0.73
MEN1 O00255 4/20 0.73
KMT2A Q03164 4/20 0.73
MAPK1 P28482 3/20 0.73
RAB9A P51151 2/20 0.73
HTT P42858 2/20 0.73
HDAC6 Q9UBN7 1/20 0.73
VCP P55072 2/20 0.70
SMN1; SMN2 Q16637 2/20 0.69
MBD2 Q9UBB5 1/20 0.68
ALDH1A1 P00352 4/20 0.64
CLK1 P49759 2/20 0.64
CYP1A2 P05177 2/20 0.64
CYP1A1 P04798 1/20 0.64
CYP1B1 Q16678 1/20 0.64
NPC1 O15118 3/20 0.60
AGER Q15109 2/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60

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
SCHEMBL4742547 0.90 ALOX5 (1.00) ALOX5MAPTMEN1KMT2AMAPK1
SCHEMBL7114964 0.86 ALOX5 (1.00) ALOX5MAPTMEN1KMT2AMAPK1
SCHEMBL7115473 0.86 ALOX5 (0.73) ALOX5MAPTMEN1KMT2AMAPK1
SCHEMBL996232 0.84 RAB9A (1.00) ALOX5MAPTMEN1KMT2AMAPK1
SCHEMBL1885179 0.83 MEN1 (0.77) ALOX5MAPTMEN1KMT2AMAPK1
SCHEMBL1881369 0.83 CYP1A1 (0.88) ALOX5MAPTMEN1KMT2AMAPK1
SCHEMBL1887057 0.83 MEN1 (0.77) ALOX5MAPTMEN1KMT2AMAPK1
SCHEMBL12298058 0.83 ALOX5 (0.64) ALOX5MAPTMEN1KMT2AMAPK1
SCHEMBL1882991 0.82 VCP (1.00) ALOX5MAPTMEN1KMT2AMAPK1
SCHEMBL4743091 0.82 MEN1 (0.73) ALOX5MAPTMEN1KMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105436-A1 HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE IN CANCER TREATMENT AUCKLAND UNISERVICES LIMITED (NZ) 2011-05-05 US claimed
WO-2009114552-A1 HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE IN CANCER TREATMENT THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2009-09-17 WO claimed
EP-2411526-A2 GANGLIOSIDE BIOSYNTHESIS MODULATORS Zacharon Pharmaceuticals, Inc. (US) 2012-02-01 EP disclosed
US-20110105436-A1 HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE IN CANCER TREATMENT AUCKLAND UNISERVICES LIMITED (NZ) 2011-05-05 US disclosed
US-20110105436-A1 HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE IN CANCER TREATMENT AUCKLAND UNISERVICES LIMITED (NZ) 2011-05-05 US disclosed
US-20110105436-A1 HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE IN CANCER TREATMENT AUCKLAND UNISERVICES LIMITED (NZ) 2011-05-05 US disclosed
US-20100248365-A1 GANGLIOSIDE BIOSYNTHESIS MODULATORS ZACHARON PHARMACEUTICALS, INC. (US) 2010-09-30 US disclosed
US-20100248365-A1 GANGLIOSIDE BIOSYNTHESIS MODULATORS ZACHARON PHARMACEUTICALS, INC. (US) 2010-09-30 US disclosed
WO-2010111711-A2 GANGLIOSIDE BIOSYNTHESIS MODULATORS ZACHARON PHARMACEUTICALS, INC. (US) 2010-09-30 WO disclosed
WO-2009114552-A1 HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE IN CANCER TREATMENT THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2009-09-17 WO disclosed
WO-2009114552-A1 HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE IN CANCER TREATMENT THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2009-09-17 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 (2 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-20110105436-A1 HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE IN CANCER TREATMENT VHL, TP53, BECN1 ALOX5 2463/4885MAPT 2506/4885MEN1 3092/4885
US-20100248365-A1 GANGLIOSIDE BIOSYNTHESIS MODULATORS UGCG, MAGT1, STT3B ALOX5 1965/4885MAPT 4120/4885MEN1 1262/4885

“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.