SCHEMBL1100503

SCHEMBL1100503

[c]1ccccc1Sc1cnc2ccccc2n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.57
HTT P42858 3/20 0.57
SMN1; SMN2 Q16637 6/20 0.51
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
KDM4E B2RXH2 2/20 0.43
GAA P10253 1/20 0.43
RXFP1 Q9HBX9 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PDE10A Q9Y233 1/20 0.38
ALDH1A1 P00352 4/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
GPR3 P46089 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35

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
SCHEMBL5058342 0.78 RXFP1 (0.41) HPGDSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL30129312 0.73 HPGD (1.00) HPGDHTTSMN1; SMN2NPC1RAB9A
SCHEMBL7205313 0.72 HPGD (0.64) HPGDHTTSMN1; SMN2NPC1RAB9A
SCHEMBL295632 0.72 EHMT2 (0.48) HPGDHTTNPC1RAB9AKDM4E
SCHEMBL2423602 0.71
SCHEMBL3145825 0.69 GRM5 (0.33)
SCHEMBL18796102 0.69 HTT (0.61) HPGDHTTSMN1; SMN2NPC1RAB9A
SCHEMBL29163011 0.69 HTT (0.60) HPGDHTTSMN1; SMN2NPC1RAB9A
SCHEMBL13768213 0.69 HPGD (0.60) HPGDHTTSMN1; SMN2NPC1RAB9A
SCHEMBL995920 0.67 HSD17B10 (0.35) SMN1; SMN2KDM4EGAANPSR1LMNA

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
EP-2393781-B1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS HOFFMANN LA ROCHE (CH) 2014-03-12 EP claimed
EP-2393781-B1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS HOFFMANN LA ROCHE (CH) 2014-03-12 EP disclosed
US-8372865-B2 Dihydropyridone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2013-02-12 US disclosed
US-8153809-B2 Dihydropyridone ureas as P2X7 modulators ROCHE PALO ALTO LLC (US) 2012-04-10 US disclosed
EP-2393781-A1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS F. Hoffmann-La Roche AG (CH) 2011-12-14 EP disclosed
EP-2385939-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS F. Hoffmann-La Roche AG (CH) 2011-11-16 EP disclosed
US-8041551-B1 Algorithm and architecture for multi-argument associative operations that minimizes the number of components using a latency of the components THE MATHWORKS, INC. (US) 2011-10-18 US disclosed
WO-2010072597-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-07-01 WO disclosed
WO-2010072599-A1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-07-01 WO disclosed
US-20100160373-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 US disclosed
US-20100160388-A1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 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-20100160388-A1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS P2RY1, P2RX1, P2RX3 HPGD 885/4885HTT 1038/4885SMN1; SMN2 2596/4885
US-20100160373-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX3, P2RX1 HPGD 1057/4885HTT 1502/4885SMN1; SMN2 2776/4885

“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.