SCHEMBL1744241

SCHEMBL1744241

Cc1cc2ccn(CCO[Si](C)(C)C(C)(C)C)c2cc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DUT P33316 2/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 4/20 0.34
PKM P14618 1/20 0.34
HTR7 P34969 1/20 0.33
MCL1 Q07820 2/20 0.32
MAPT P10636 1/20 0.32
DGAT1 O75907 3/20 0.32
KDM4E B2RXH2 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL1744945 0.94 DUT (0.36) DUTSMN1; SMN2LMNAALDH1A1PKM
SCHEMBL4511606 0.82 HTR7 (0.51) DUTHTR7MCL1MAPT
SCHEMBL1744651 0.80 DUT (0.41) DUTHTR7MCL1DGAT1
SCHEMBL1464500 0.80 GLS (0.38) DUTSMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL31487744 0.77 DUT (0.41) DUTLMNAALDH1A1DGAT1KDM4E
SCHEMBL1746128 0.75 GLS (0.34) ALDH1A1
SCHEMBL9091990 0.73 HTR2A (0.48) DUTHTR7
SCHEMBL31129868 0.73 SMN1; SMN2 (0.55) SMN1; SMN2LMNAALDH1A1MAPTNPC1
SCHEMBL4001230 0.72 DUT (0.45) DUTHTR7MCL1DGAT1
SCHEMBL9092781 0.72 HTR7 (0.49) DUTHTR7MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372865-B2 Dihydropyridone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2013-02-12 US disclosed
US-8372865-B2 Dihydropyridone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2013-02-12 US 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
US-20100160373-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 US disclosed
US-20100160373-A1 DIHYDROPYRIDONE AMIDES 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 (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-20100160373-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX3, P2RX1 DUT 1451/4885SMN1; SMN2 2776/4885LMNA 2695/4885

“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.