SCHEMBL221664

SCHEMBL221664

COc1cc(OCCO[Si](C)(C)C(C)(C)C)ccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 9/20 0.43
ALDH1A1 P00352 10/20 0.43
HPGD P15428 2/20 0.43
MEN1 O00255 2/20 0.43
MAPK1 P28482 2/20 0.43
RECQL P46063 2/20 0.43
LMNA P02545 5/20 0.40
TDP1 Q9NUW8 1/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL5455878 0.85 MAPT (0.55) KMT2ANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL31208311 0.84 KMT2A (0.43) KMT2ANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL22382337 0.84 KMT2A (0.43) KMT2ANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL5469275 0.82 MAPT (0.43) KMT2ANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL5455966 0.82 AR (0.44) MAPT
SCHEMBL6377931 0.82 KMT2A (0.57) KMT2ANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL223250 0.81 ALDH1A1 (0.38) KMT2ANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL5467390 0.81 MAPT (0.44) KMT2ANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4859072 0.80 CHEK1 (0.63)
SCHEMBL26353145 0.80 ALDH1A1 (0.41) KMT2ANPC1RAB9ASMN1; SMN2MAPT

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 12 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-8217044-B2 Spiroindolinone pyrrolidines HOFFMANN-LA ROCHE INC. (US) 2012-07-10 US disclosed
WO-2012038307-A1 SPIRO SUBSTITUTED PYRROLO[1,2-C]IMIDAZOLE DERIVATIVES USEFUL AS MDM2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-03-29 WO disclosed
US-20120071499-A1 Substituted Spiro[3H-Indole-3,6'(5'H)-[1H]Pyrrolo[1,2c]Imidazole-1',2(1H,2'H)-diones CHU XIN-JIE (US) 2012-03-22 US disclosed
WO-2012022707-A1 SUBSTITUTED HETEROARYL SPIROPYRROLIDINE MDM2 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2012-02-23 WO disclosed
US-20120046306-A1 Substituted Heteroaryl Spiropyrrolidine MDM2 Antagonists BARTKOVITZ DAVID JOSEPH (US) 2012-02-23 US disclosed
US-8088815-B2 Spiroindolinone pyrrolidines HOFFMAN-LA ROCHE INC. (US) 2012-01-03 US disclosed
WO-2011134925-A1 SPIROINDOLINONE PYRROLIDINES F. HOFFMANN-LA ROCHE AG (CH) 2011-11-03 WO disclosed
US-20110269809-A1 SPIROINDOLINONE PYRROLIDINES HOFFMANN-LA ROCHE INC. 2011-11-03 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 (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-20120071499-A1 Substituted Spiro[3H-Indole-3,6'(5'H)-[1H]Pyrrolo[1,2c]Imidazole-1',2(1H,2'H)-diones IDO1, IDH3A, H1-3 KMT2A 1955/4885NPC1 3279/4885RAB9A 413/4885
US-20110269809-A1 SPIROINDOLINONE PYRROLIDINES RB1, KRAS, PKD1 KMT2A 1956/4885NPC1 1020/4885RAB9A 122/4885
US-20110130398-A1 SPIROINDOLINONE PYRROLIDINES RPS4Y1, RB1, RPS4X KMT2A 1856/4885NPC1 1194/4885RAB9A 155/4885
US-20120046306-A1 Substituted Heteroaryl Spiropyrrolidine MDM2 Antagonists MDM2, TP53, RB1 KMT2A 1667/4885NPC1 3887/4885RAB9A 2171/4885

“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.