SCHEMBL223250

SCHEMBL223250

COc1cc(OCCO[Si](C)(C)C(C)(C)C)ncc1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.38
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
MAPK1 P28482 1/20 0.38
HPGD P15428 2/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PIN1 Q13526 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
PRKDC P78527 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PKM P14618 2/20 0.34
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
RECQL P46063 1/20 0.33

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
SCHEMBL26087355 0.83 CHEK1 (0.43) ALDH1A1MAPTLMNAMAPK1HPGD
SCHEMBL221664 0.81 KMT2A (0.48) ALDH1A1MAPTLMNAMAPK1HPGD
SCHEMBL26353145 0.81 ALDH1A1 (0.41) ALDH1A1MAPTLMNAMAPK1HPGD
SCHEMBL224778 0.79 ALDH1A1 (0.31) ALDH1A1TDP1CYP3A4HSD17B10
SCHEMBL30399809 0.78 ALDH1A1 (0.46) ALDH1A1MAPTLMNAMAPK1KMT2A
SCHEMBL4719832 0.78 ALDH1A1 (0.46) ALDH1A1MAPTLMNAMAPK1KMT2A
SCHEMBL16829528 0.76 ALDH1A1 (0.38) ALDH1A1MAPTLMNAMAPK1HPGD
SCHEMBL29481726 0.75 GABRA5 (0.44) ALDH1A1MAPTLMNANPC1RAB9A
SCHEMBL16973106 0.75 GABRA5 (0.44) ALDH1A1MAPTLMNANPC1RAB9A
SCHEMBL7006661 0.75 MAPT (0.50) ALDH1A1MAPTLMNAMAPK1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2507243-B1 SPIROINDOLINONE PYRROLIDINES HOFFMANN LA ROCHE (CH) 2015-06-10 EP disclosed
EP-2507243-A1 SPIROINDOLINONE PYRROLIDINES F. Hoffmann-La Roche AG (CH) 2012-10-10 EP disclosed
US-8088815-B2 Spiroindolinone pyrrolidines HOFFMAN-LA ROCHE INC. (US) 2012-01-03 US disclosed
WO-2011067185-A1 SPIROINDOLINONE PYRROLIDINES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-09 WO disclosed
US-20110130398-A1 SPIROINDOLINONE PYRROLIDINES BARTKOVITZ DAVID JOSEPH 2011-06-02 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-20110130398-A1 SPIROINDOLINONE PYRROLIDINES RPS4Y1, RB1, RPS4X ALDH1A1 416/4885MAPT 4809/4885LMNA 1998/4885

“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.