SCHEMBL2642436

SCHEMBL2642436

CCC(=O)c1csc(N)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
MAPT P10636 4/20 0.60
RAB9A P51151 3/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
NPC1 O15118 2/20 0.60
HSD17B10 Q99714 2/20 0.46
GABRA5 P31644 1/20 0.46
GABRB2 P47870 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.42
NOS1 P29475 1/20 0.42
BAZ2A Q9UIF9 1/20 0.39
KDM4E B2RXH2 3/20 0.39
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
PLA2G4A P47712 1/20 0.37

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
SCHEMBL4683220 0.82 ALDH1A1 (0.53) ALDH1A1MAPTRAB9AMEN1KMT2A
SCHEMBL28329584 0.81 ALDH1A1 (0.53) ALDH1A1MAPTRAB9AMEN1KMT2A
SCHEMBL8880291 0.81 ALDH1A1 (0.51) ALDH1A1MAPTRAB9AMEN1KMT2A
SCHEMBL6693601 0.81 ALDH1A1 (0.51) ALDH1A1MAPTRAB9AMEN1KMT2A
SCHEMBL4687160 0.80 ALDH1A1 (0.55) ALDH1A1MAPTRAB9AMEN1KMT2A
SCHEMBL2643079 0.80 RAB9A (0.47) ALDH1A1MAPTRAB9AMEN1KMT2A
Bromide SCHEMBL9297985 0.79 ALDH1A1 (0.50) ALDH1A1MAPTRAB9AMEN1KMT2A
SCHEMBL2642531 0.78 MAPT (0.38) ALDH1A1MAPTRAB9AMEN1KMT2A
SCHEMBL4688142 0.78 PLA2G4A (0.45) ALDH1A1MAPTRAB9AMEN1KMT2A
SCHEMBL965863 0.78

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7427635-B2 Substituted hydantoins HOFFMANN-LA ROCHE INC. (US) 2008-09-23 US claimed
EP-1781649-B1 SUBSTITUTED HYDANTOINS HOFFMANN LA ROCHE (CH) 2008-08-13 EP claimed
EP-1781649-A2 SUBSTITUTED HYDANTOINS F. Hoffmann-Roche AG (CH) 2007-05-09 EP claimed
US-20060041146-A1 Substituted hydantoins HOFFMANN-LA ROCHE AG 2006-02-23 US claimed
WO-2006018188-A2 SUBSTITUTED HYDANTOINS F. HOFFMANN-LA ROCHE AG (CH) 2006-02-23 WO claimed
US-10647731-B2 Thiazolopyrimidinones and methods of use thereof GENENTECH, INC. (US) 2020-05-12 US disclosed
US-10647731-B2 Thiazolopyrimidinones and methods of use thereof GENENTECH, INC. (US) 2020-05-12 US disclosed
EP-3415519-A1 THIAZOLOPYRIMIDINONES AS MODULATORS OF NMDA RECEPTOR ACTIVITY F. Hoffmann-La Roche AG (CH) 2018-12-19 EP disclosed
US-20180244694-A1 THIAZOLOPYRIMIDINONES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-08-30 US disclosed
EP-3055315-B1 THIAZOLOPYRIMIDINONES AS MODULATORS OF NMDA RECEPTOR ACTIVITY HOFFMANN LA ROCHE (CH) 2018-07-25 EP disclosed
EP-3055315-B1 THIAZOLOPYRIMIDINONES AS MODULATORS OF NMDA RECEPTOR ACTIVITY HOFFMANN LA ROCHE (CH) 2018-07-25 EP disclosed
US-9988400-B2 Thiazolopyrimidinones and methods of use thereof GENENTECH, INC. (US) 2018-06-05 US disclosed
EP-1781649-B1 SUBSTITUTED HYDANTOINS HOFFMANN LA ROCHE (CH) 2008-08-13 EP disclosed
EP-1781649-A2 SUBSTITUTED HYDANTOINS F. Hoffmann-Roche AG (CH) 2007-05-09 EP disclosed
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-16 US disclosed
US-20060041146-A1 Substituted hydantoins HOFFMANN-LA ROCHE AG 2006-02-23 US disclosed
WO-2006018188-A2 SUBSTITUTED HYDANTOINS F. HOFFMANN-LA ROCHE AG (CH) 2006-02-23 WO disclosed
EP-1598349-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-23 EP disclosed
CN-1188411-C Oxime derivatives and agricultural chemicals containing same DAINIPPON INK & CHEMICALS (JP) 2005-02-09 CN disclosed
CN-1281452-A Oxime derivatives and agricultural chemicals containing same DAINIPPON INK & CHEMICALS (JP) 2001-01-24 CN 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 (4 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-20060041146-A1 Substituted hydantoins HNMT, MAPK6, KYNU ALDH1A1 552/4885MAPT 2100/4885RAB9A 764/4885
US-10647731-B2 Thiazolopyrimidinones and methods of use thereof TPMT, THPO, CYP11B2 ALDH1A1 159/4885MAPT 1190/4885RAB9A 3839/4885
US-20180244694-A1 THIAZOLOPYRIMIDINONES AND METHODS OF USE THEREOF TPMT, THPO, CYP11B2 ALDH1A1 159/4885MAPT 1190/4885RAB9A 3839/4885
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives GCKR, GCK, HK2 ALDH1A1 1249/4885MAPT 4612/4885RAB9A 3535/4885

“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.