SCHEMBL1886809

SCHEMBL1886809

COc1ccc(Nc2nc(-c3ccncc3)cs2)cc1OC

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.77
MAPT P10636 9/20 0.65
MEN1 O00255 9/20 0.65
KMT2A Q03164 9/20 0.65
RAB9A P51151 8/20 0.64
NPC1 O15118 6/20 0.64
HTT P42858 3/20 0.64
MAPK1 P28482 2/20 0.64
HDAC6 Q9UBN7 1/20 0.64
SMN1; SMN2 Q16637 4/20 0.60
POLB P06746 2/20 0.60
VCP P55072 1/20 0.60
ESR1 P03372 1/20 0.60
PTGS2 P35354 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
GAA P10253 4/20 0.59
ALDH1A1 P00352 1/20 0.59
LMNA P02545 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
IMPDH2 P12268 1/20 0.58

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
SCHEMBL1883616 0.90 ALOX5 (0.63) ALOX5MAPTMEN1KMT2ARAB9A
SCHEMBL14742710 0.88 MEN1 (0.74) ALOX5MAPTMEN1KMT2ARAB9A
SCHEMBL12297770 0.88 ALOX5 (0.79) ALOX5MAPTMEN1KMT2ARAB9A
SCHEMBL1890637 0.88 BRAF (0.62) ALOX5MAPTMEN1KMT2ARAB9A
SCHEMBL12297915 0.87 ALOX5 (1.00) ALOX5MAPTMEN1KMT2ARAB9A
SCHEMBL12297177 0.87 ALOX5 (0.77) ALOX5MAPTMEN1KMT2ARAB9A
SCHEMBL12297368 0.84 ALOX5 (0.65) ALOX5MAPTMEN1KMT2ARAB9A
SCHEMBL12639923 0.84 MAPT (0.57) ALOX5MAPTMEN1KMT2ARAB9A
SCHEMBL1889521 0.83 PTGS2 (0.86) ALOX5MAPTMEN1KMT2ARAB9A
SCHEMBL1891345 0.82 CYP1B1 (0.73) ALOX5MAPTMEN1KMT2ARAB9A

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 5 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
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
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 (1 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

“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.