SCHEMBL224201

SCHEMBL224201

COc1cc(OCCSC)ccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAPT P10636 8/20 0.48
ALDH1A1 P00352 10/20 0.44
HPGD P15428 2/20 0.44
MEN1 O00255 1/20 0.44
MAPK1 P28482 1/20 0.44
RECQL P46063 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 4/20 0.44
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SIRT6 Q8N6T7 1/20 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
SCHEMBL17197371 0.93 SMN1; SMN2 (0.49) KMT2ANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL1697621 0.84 MAPT (0.67) KMT2ANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL6377931 0.84 KMT2A (0.57) KMT2ANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL17197367 0.83 SMN1; SMN2 (0.52) KMT2ANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL22955262 0.83 KMT2A (0.52) KMT2ANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2964413 0.83 KMT2A (0.52) KMT2ANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL657693 0.83 CHEK1 (0.53) KMT2ANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL8789817 0.82 SMN1; SMN2 (0.51) KMT2ANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL1961769 0.81 CHRNB2 (0.57) KMT2ANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL1962847 0.80 KMT2A (0.49) 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 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 KMT2A 1856/4885NPC1 1194/4885RAB9A 155/4885

“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.