SCHEMBL596451

SCHEMBL596451

CC(=S)CN1C(=O)CC(=O)NC1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 13/20 0.43
KMT2A Q03164 13/20 0.43
MAPT P10636 13/20 0.43
ALDH1A1 P00352 4/20 0.43
HSD17B10 Q99714 4/20 0.41
L3MBTL1 Q9Y468 4/20 0.41
POLB P06746 2/20 0.41
APEX1 P27695 2/20 0.41
RECQL P46063 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
PKM P14618 1/20 0.41
CYP2C19 P33261 1/20 0.41
PSMD14 O00487 1/20 0.41
MMP2 P08253 1/20 0.41
DNMT1 P26358 1/20 0.41
PTPN7 P35236 1/20 0.41
HBB P68871 1/20 0.41
KDM4C Q9H3R0 1/20 0.41

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
SCHEMBL6976927 0.83 MAPT (0.44) MEN1KMT2AMAPTALDH1A1HSD17B10
SCHEMBL9084677 0.77 TSHR (0.55) MEN1KMT2AMAPTALDH1A1HSD17B10
SCHEMBL145904 0.74 MAPT (0.49) MEN1KMT2AMAPTALDH1A1HSD17B10
SCHEMBL14185382 0.74 MEN1 (0.46) MEN1KMT2AMAPTALDH1A1HSD17B10
SCHEMBL9190604 0.73 MEN1 (0.42) MEN1KMT2AMAPTALDH1A1HSD17B10
SCHEMBL7864240 0.72 MAPT (0.47) MEN1KMT2AMAPTALDH1A1HSD17B10
SCHEMBL3294487 0.71 MAPT (0.51) MEN1KMT2AMAPTALDH1A1HSD17B10
SCHEMBL8415311 0.71 MAPT (0.51) MEN1KMT2AMAPTALDH1A1HSD17B10
SCHEMBL9085470 0.69 ALDH1A1 (0.50) MEN1KMT2AMAPTALDH1A1HSD17B10
SCHEMBL2376601 0.69 MAPT (0.45) MEN1KMT2AMAPTALDH1A1HSD17B10

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-20120130058-A1 REDUCTION OF 5-(ARYL-DIAZENYL)-4,6-DIHALO-PYRIMIDINE QUITTMANN WILHELM (CH) 2012-05-24 US disclosed
US-8114996-B2 Reduction of 5-(aryl-diazenyl)-4,6-dihalo-pyrimidine LONZA AG (CH) 2012-02-14 US disclosed
US-20110178298-A1 REDUCTION OF 5-(ARYL-DIAZENYL)-4,6-DIHALO-PYRIMIDINE LONZA AG (CH) 2011-07-21 US disclosed
EP-1987012-A1 REDUCTION OF 5-(ARYL-DIAZENYL)-4,6-DIHALO-PYRIMIDINE LONZA AG (CH) 2008-11-05 EP disclosed
WO-2007093368-A1 REDUCTION OF 5-(ARYL-DIAZENYL)-4,6-DIHALO-PYRIMIDINE LONZA AG (CH) 2007-08-23 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 (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-20110178298-A1 REDUCTION OF 5-(ARYL-DIAZENYL)-4,6-DIHALO-PYRIMIDINE PDXK, KHK, GCK MEN1 2658/4885KMT2A 1155/4885MAPT 4540/4885
US-20120130058-A1 REDUCTION OF 5-(ARYL-DIAZENYL)-4,6-DIHALO-PYRIMIDINE PDXK, KHK, GCK MEN1 2658/4885KMT2A 1155/4885MAPT 4540/4885

“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.