SCHEMBL695538

SCHEMBL695538

CCOC(CNC(=O)c1ccc(C(C)(C)C)cc1[N+](=O)[O-])OCC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.54
MAPK1 P28482 4/20 0.46
ALDH1A1 P00352 4/20 0.46
MAPT P10636 4/20 0.46
TDP1 Q9NUW8 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 3/20 0.46
HTT P42858 2/20 0.46
GLA P06280 1/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
POLB P06746 1/20 0.46
LMNA P02545 2/20 0.43
HPD P32754 1/20 0.42
HPGD P15428 3/20 0.41
CYP3A4 P08684 3/20 0.41
CYP1A2 P05177 2/20 0.41

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
SCHEMBL694128 0.82 ESRRG (0.48) ATMMAPK1ALDH1A1MAPTTDP1
SCHEMBL13092715 0.81 ATM (0.55) ATMMAPK1ALDH1A1MAPTTDP1
SCHEMBL21055082 0.80 ATM (0.60) ATMMAPK1ALDH1A1MAPTTDP1
SCHEMBL15889167 0.79 NPC1 (0.50) ATMMAPK1ALDH1A1MAPTTDP1
SCHEMBL15889140 0.79 MAPK1 (0.41) ATMMAPK1ALDH1A1MAPTTDP1
SCHEMBL695550 0.78 NPC1 (0.49) ATMMAPK1ALDH1A1MAPTTDP1
SCHEMBL27981250 0.77 NPC1 (0.48) ATMMAPK1ALDH1A1MAPTTDP1
SCHEMBL22493011 0.74 ALDH1A1 (0.54) ATMMAPK1ALDH1A1MAPTTDP1
SCHEMBL700691 0.72 NPC1 (0.56) ATMMAPK1ALDH1A1MAPTTDP1
SCHEMBL15830722 0.72 HPGD (0.64) ATMMAPK1ALDH1A1MAPTTDP1

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
CN-102292329-B Inhibitors of bruton's tyrosine kinase HOFFMANN LA ROCHE 2014-09-03 CN disclosed
EP-2421854-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2014-07-23 EP disclosed
US-8318719-B2 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2012-11-27 US disclosed
US-8318719-B2 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2012-11-27 US disclosed
US-8318719-B2 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2012-11-27 US disclosed
EP-2421854-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. Hoffmann-La Roche AG (CH) 2012-02-29 EP disclosed
CN-102292329-A Inhibitors of bruton's tyrosine kinase 2011-12-21 CN disclosed
WO-2010122038-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2010-10-28 WO disclosed
WO-2010122038-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2010-10-28 WO disclosed
US-20100273768-A1 Inhibitors of Bruton's Tyrosine Kinase DEWDNEY NOLAN JAMES 2010-10-28 US disclosed
US-20100273768-A1 Inhibitors of Bruton's Tyrosine Kinase DEWDNEY NOLAN JAMES 2010-10-28 US disclosed
US-20100273768-A1 Inhibitors of Bruton's Tyrosine Kinase DEWDNEY NOLAN JAMES 2010-10-28 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-20100273768-A1 Inhibitors of Bruton's Tyrosine Kinase BTK, SYK, LYN ATM 604/4885MAPK1 171/4885ALDH1A1 4520/4885

“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.