SCHEMBL956185

SCHEMBL956185

Nc1ncc(-c2cccs2)s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.52
KDM4E B2RXH2 6/20 0.52
HSD17B10 Q99714 4/20 0.52
EPHX2 P34913 1/20 0.52
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
NPC1 O15118 4/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
TDO2 P48775 1/20 0.44
MAPT P10636 5/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
GAA P10253 3/20 0.43
HTT P42858 2/20 0.43
LTA4H P09960 1/20 0.43
CSNK2A1 P68400 1/20 0.42

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
SCHEMBL21242477 0.80 NOS1 (0.55) ALDH1A1KDM4EHSD17B10EPHX2NPC1
SCHEMBL19721706 0.79 KDM4E (0.46) ALDH1A1KDM4EHSD17B10EPHX2MEN1
SCHEMBL3072249 0.78 KDM4E (0.48) ALDH1A1KDM4EHSD17B10EPHX2MEN1
SCHEMBL869424 0.75 KDM4E (0.50) ALDH1A1KDM4EHSD17B10EPHX2MEN1
SCHEMBL27671493 0.73 SMN1; SMN2 (0.46) ALDH1A1KDM4EHSD17B10EPHX2MEN1
SCHEMBL2246884 0.73 DPP4 (0.47) ALDH1A1KDM4EHSD17B10EPHX2MEN1
SCHEMBL5757978 0.73 DPP4 (0.51) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL16291133 0.72 L3MBTL1 (0.57) ALDH1A1KDM4EHSD17B10EPHX2MEN1
SCHEMBL3545 0.72 L3MBTL1 (0.57) ALDH1A1KDM4EHSD17B10EPHX2MEN1
SCHEMBL2645238 0.72 NPC1 (0.53) ALDH1A1KDM4EHSD17B10EPHX2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9078902-B2 Triazine derivatives and their therapeutical applications NANTBIOSCIENCE, INC. (US) 2015-07-14 US disclosed
US-20120196860-A1 Triazine derivatives and their therapeutical applications CALIFORNIA CAPITAL EQUITY, LLC (US) 2012-08-02 US disclosed
CN-102573480-A Triazine derivatives and their therapeutic use ABRAXIS BIOSCIENCE LLC 2012-07-11 CN disclosed
EP-2440057-A1 TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS Abraxis BioScience, LLC (US) 2012-04-18 EP disclosed
US-7868030-B2 FBPase inhibitors for diabetes HOFFMANN-LA ROCHE INC. (US) 2011-01-11 US disclosed
WO-2010144550-A1 TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS ABRAXIS BIOSCIENCE, LLC (US) 2010-12-16 WO disclosed
EP-2032548-A1 THIAZOLE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2009-03-11 EP disclosed
WO-2007137962-A1 THIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-12-06 WO disclosed
US-20070281979-A1 Fructose-1,6-bisphosphatase (FBPase) inhibitors, such as N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]3(difluoromethoxy)benzenesulfonamide, used as antidiabetic agents HOFFMANN-LA ROCHE INC. 2007-12-06 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 (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-20070281979-A1 Fructose-1,6-bisphosphatase (FBPase) inhibitors, such as N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]3(difluoromethoxy)benzenesulfonamide, used as antidiabetic agents FBP1, PFKFB1, PFKFB3 ALDH1A1 565/4885KDM4E 1403/4885HSD17B10 1696/4885
US-20120196860-A1 Triazine derivatives and their therapeutical applications MAP3K2, MAP3K5, MAP4K2 ALDH1A1 3921/4885KDM4E 2636/4885HSD17B10 3856/4885

“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.