SCHEMBL1068209

SCHEMBL1068209

N#Cc1cccc(Cn2ccc([N+](=O)[O-])n2)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
KCNJ1 P48048 1/20 0.46
KCNH2 Q12809 1/20 0.46
ALDH1A1 P00352 2/20 0.43
CREBBP Q92793 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
PKM P14618 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
FBP1 P09467 1/20 0.38
KMT2A Q03164 1/20 0.38
TGFBR1 P36897 1/20 0.38
LMNA P02545 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
GLA P06280 1/20 0.37

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
SCHEMBL1867803 0.84 CYP19A1 (0.49) CYP19A1CYP11B1CYP11B2KCNJ1KCNH2
SCHEMBL28116367 0.80 RECQL (0.52) CYP11B1CYP11B2ALDH1A1SMN1; SMN2PKM
SCHEMBL1866232 0.79 F2 (0.49) CYP19A1ALDH1A1SMN1; SMN2PKMKMT2A
SCHEMBL17316705 0.78 CACNA1H (0.49) ALDH1A1PKMKMT2ALMNA
SCHEMBL26192846 0.77 CYP19A1 (0.45) CYP19A1CYP11B1CYP11B2KCNJ1KCNH2
SCHEMBL17316399 0.77 HDAC1 (0.50) ALDH1A1SMN1; SMN2PKMKMT2ALMNA
SCHEMBL27765571 0.77 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2PKMKMT2ALMNA
SCHEMBL17316675 0.77 LMNA (0.39) ALDH1A1SMN1; SMN2PKMKMT2ALMNA
SCHEMBL1065891 0.77 ALDH1A1 (0.62) CYP19A1CYP11B1CYP11B2ALDH1A1CREBBP
SCHEMBL14699029 0.76 CREBBP (0.55) KCNJ1KCNH2ALDH1A1CREBBPSMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102007118-B Pyrrolidinone glucokinase activators HOFFMANN LA ROCHE 2014-12-31 CN disclosed
EP-2274297-B1 PYRROLIDINONE GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2012-05-09 EP disclosed
CN-102007118-A Pyrrolidinone glucokinase activators HOFFMANN LA ROCHE 2011-04-06 CN disclosed
EP-2274297-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS F. Hoffmann-La Roche AG (CH) 2011-01-19 EP disclosed
US-7741327-B2 Pyrrolidinone glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2010-06-22 US disclosed
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2009-10-22 US disclosed
WO-2009127546-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2009-10-22 WO 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-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS GCKR, GCK, PDK2 CYP19A1 1523/4885CYP11B1 1399/4885CYP11B2 1240/4885

“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.