SCHEMBL3409768

SCHEMBL3409768

COCCNS(=O)(=O)c1cc(Br)ccc1Cl

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSTO1 P78417 2/20 0.62
POLB P06746 4/20 0.60
HPGD P15428 3/20 0.53
ALDH1A1 P00352 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.49
USP2 O75604 1/20 0.49
GLA P06280 1/20 0.49
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.48
LMNA P02545 1/20 0.48
RAB9A P51151 1/20 0.48
GAA P10253 3/20 0.46
TSHR P16473 2/20 0.46
MEN1 O00255 1/20 0.46
PKM P14618 1/20 0.46
KMT2A Q03164 1/20 0.46
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL8060863 0.85 ALDH1A1 (0.52) GSTO1POLBHPGDALDH1A1SMN1; SMN2
SCHEMBL16252094 0.84 GSTO1 (0.63) GSTO1POLBHPGDALDH1A1SMN1; SMN2
SCHEMBL13543489 0.80 MAPT (0.73) GSTO1POLBHPGDSMN1; SMN2MAPT
SCHEMBL2881016 0.79 ALDH1A1 (0.64) POLBALDH1A1SMN1; SMN2MAPTRAB9A
SCHEMBL27476129 0.79 POLB (0.58) GSTO1POLBHPGDALDH1A1SMN1; SMN2
SCHEMBL13543285 0.78 GSTO1 (0.62) GSTO1POLBHPGDALDH1A1SMN1; SMN2
SCHEMBL2877986 0.77 CA12 (0.54) POLBALDH1A1SMN1; SMN2GLAMAPT
SCHEMBL15054129 0.77 POLB (0.45) GSTO1POLBHPGDALDH1A1SMN1; SMN2
SCHEMBL1348621 0.77 ATM (0.61) POLBHPGDALDH1A1SMN1; SMN2MAPT
SCHEMBL4767555 0.77 POLB (0.63) GSTO1POLBHPGDALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846687-B2 Pyrazine compounds as PI3 kinase inhibitors NOVARTIS AG (CH) 2014-09-30 US disclosed
US-8268834-B2 Pyrazine derivatives that inhibit phosphatidylinositol 3-kinase enzyme NOVARTIS AG (CH) 2012-09-18 US disclosed
US-20120214800-A1 Organic Compounds NOVARTIS AG (CH) 2012-08-23 US disclosed
EP-2257529-A2 PYRIDINES AND PYRAZINES AS INHIBITORS OF PI3K Novartis AG (CH) 2010-12-08 EP disclosed
WO-2009115517-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-09-24 WO disclosed
US-20090239847-A1 Organic compounds NOVARTIS AG (CH) 2009-09-24 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-20090239847-A1 Organic compounds AR, TRPA1, IL33 GSTO1 2017/4885POLB 2772/4885HPGD 1971/4885
US-20120214800-A1 Organic Compounds AR, TRPA1, IL33 GSTO1 2017/4885POLB 2772/4885HPGD 1971/4885

“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.