SCHEMBL298750

SCHEMBL298750

O=C(O)c1ncccc1Sc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
L3MBTL1 Q9Y468 4/20 0.52
MAPT P10636 4/20 0.52
KDM4E B2RXH2 4/20 0.52
BLM P54132 2/20 0.52
CYP3A4 P08684 1/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
AGER Q15109 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
SIRT1 Q96EB6 1/20 0.47
CYP1A2 P05177 1/20 0.46
LMNA P02545 3/20 0.46
NAPRT Q6XQN6 1/20 0.46
P4HTM Q9NXG6 1/20 0.46
PKM P14618 1/20 0.45
TDP1 Q9NUW8 2/20 0.42
MYC P01106 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 2/20 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
SCHEMBL11373363 0.82 L3MBTL1 (0.68) ALDH1A1L3MBTL1MAPTKDM4ETSHR
SCHEMBL1403609 0.78 L3MBTL1 (0.67) ALDH1A1L3MBTL1MAPTKDM4EBLM
SCHEMBL5522366 0.77 SIRT1 (0.44) ALDH1A1L3MBTL1MAPTKDM4EBLM
Hydrochloric Acid SCHEMBL10515336 0.76 L3MBTL1 (0.65) ALDH1A1L3MBTL1MAPTKDM4EBLM
SCHEMBL29269817 0.76 ICAM1 (0.42) ALDH1A1L3MBTL1MAPTBLMSIRT1
SCHEMBL3804451 0.75 ALDH1A1 (0.59) ALDH1A1L3MBTL1MAPTKDM4EBLM
SCHEMBL10834113 0.74 GCK (0.44) ALDH1A1L3MBTL1MAPTBLMSIRT1
SCHEMBL3073197 0.74 KDM4E (0.50) ALDH1A1L3MBTL1MAPTKDM4EBLM
SCHEMBL14890349 0.74 KDM4E (0.62) ALDH1A1L3MBTL1MAPTKDM4EBLM
SCHEMBL14676586 0.74 ALDH1A1 (0.50) ALDH1A1L3MBTL1MAPTKDM4EBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010128058-A1 DIHYDROPYRIMIDINONES FOR USE AS BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-11-11 WO claimed
US-20100286158-A1 DIHYDROPYRIMIDINONES HOFFMANN-LA ROCHE, INC. 2010-11-11 US claimed
US-8461160-B2 Dihydropyrimidinones HOFFMANN-LA ROCHE, INC. (US) 2013-06-11 US disclosed
EP-2427437-A1 DIHYDROPYRIMIDINONES FOR USE AS BACE2 INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-03-14 EP disclosed
WO-2010128058-A1 DIHYDROPYRIMIDINONES FOR USE AS BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-11-11 WO disclosed
US-20100286158-A1 DIHYDROPYRIMIDINONES HOFFMANN-LA ROCHE, INC. 2010-11-11 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 (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-20100286158-A1 DIHYDROPYRIMIDINONES BACE2, BACE1, PSEN2 ALDH1A1 563/4885L3MBTL1 4566/4885MAPT 143/4885

“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.