SCHEMBL13409576

SCHEMBL13409576

CN1C(=O)c2cscc2C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.44
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 6/20 0.36
KMT2A Q03164 6/20 0.36
MAPT P10636 2/20 0.36
HSD17B10 Q99714 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ALOX15 P16050 1/20 0.36
APP P05067 6/20 0.35
USP2 O75604 3/20 0.35
HPGD P15428 2/20 0.35
KEAP1 Q14145 2/20 0.35
NFE2L2 Q16236 2/20 0.35
MAPK1 P28482 1/20 0.35
ATM Q13315 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
MGLL Q99685 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.34

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
SCHEMBL12601339 0.74 MEN1 (0.39) ALDH1A1MEN1KMT2AL3MBTL1MAPK1
SCHEMBL11552980 0.73 TTR (0.48) CASP3ALDH1A1MEN1KMT2AMAPT
SCHEMBL20222940 0.73 MEN1 (0.45) CASP3ALDH1A1MEN1KMT2AMAPT
SCHEMBL18517073 0.72 TDP1 (0.33) USP2
SCHEMBL12600696 0.72 CYP1B1 (0.48) ALDH1A1MEN1KMT2AMAPTHSD17B10
SCHEMBL16356282 0.71 PTGS1 (0.42) ALDH1A1MEN1KMT2AMAPTL3MBTL1
SCHEMBL16870058 0.71 CASP3 (0.48) CASP3ALDH1A1MEN1KMT2AMAPT
SCHEMBL18517132 0.69 CASP3 (0.38) CASP3ALDH1A1MEN1KMT2AMAPT
SCHEMBL17168146 0.69 CASP3 (0.46) CASP3ALDH1A1MEN1KMT2AMAPT
SCHEMBL127059 0.69 MEN1 (0.55) CASP3ALDH1A1MEN1KMT2AMAPT

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-20170044309-A1 PREPARATION OF HIGH MOLECULAR WEIGHT POLYMERS BY DIRECT ARYLATION AND HETEROARYLATION UNIVERSITE LAVAL (CA) 2017-02-16 US disclosed
US-20170044309-A1 PREPARATION OF HIGH MOLECULAR WEIGHT POLYMERS BY DIRECT ARYLATION AND HETEROARYLATION UNIVERSITE LAVAL (CA) 2017-02-16 US disclosed
US-9505876-B2 Preparation of high molecular weight polymers by direct arylation and heteroarylation UNIVERSITE LAVAL (CA) 2016-11-29 US disclosed
US-9505876-B2 Preparation of high molecular weight polymers by direct arylation and heteroarylation UNIVERSITE LAVAL (CA) 2016-11-29 US disclosed
US-9412950-B2 Polymer compound and organic photoelectric conversion device SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-08-09 US disclosed
US-20140373912-A1 POLYMER COMPOUND AND ORGANIC PHOTOELECTRIC CONVERSION DEVICE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-12-25 US disclosed
US-20140371409-A1 PREPARATION OF HIGH MOLECULAR WEIGHT POLYMERS BY DIRECT ARYLATION AND HETEROARYLATION UNIVERSITE LAVAL (CA) 2014-12-18 US disclosed
US-20140371409-A1 PREPARATION OF HIGH MOLECULAR WEIGHT POLYMERS BY DIRECT ARYLATION AND HETEROARYLATION UNIVERSITE LAVAL (CA) 2014-12-18 US disclosed
WO-2013056355-A1 PREPARATION OF HIGH MOLECULAR WEIGHT POLYMERS 8Y DIRECT ARYLATION AND HETEROARYLATION UNIVERSITé LAVAL (CA) 2013-04-25 WO disclosed
US-20100099840-A1 DIOXYPYRROLO-HETEROAROMATIC COMPOUNDS AND ORGANIC ELECTRONIC DEVICES USING THE SAME LG CHEM, LTD. (KR) 2010-04-22 US disclosed
WO-2008127029-A1 DIOXYPYRROLO-HETEROAROMATIC COMPOUNDS AND ORGANIC ELECTRONIC DEVICES USING THE SAME LG CHEM, LTD. (KR) 2008-10-23 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-20100099840-A1 DIOXYPYRROLO-HETEROAROMATIC COMPOUNDS AND ORGANIC ELECTRONIC DEVICES USING THE SAME DDT, PPOX, EED CASP3 3939/4885ALDH1A1 3369/4885MEN1 534/4885

“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.