SCHEMBL1858708

SCHEMBL1858708

CCCCCCn1ccc([N+](=O)[O-])n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
LMNA P02545 2/20 0.45
POLB P06746 2/20 0.45
KMT2A Q03164 3/20 0.45
PKM P14618 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 2/20 0.41
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 2/20 0.39
CNR1 P21554 1/20 0.39
ACHE P22303 1/20 0.39
CNR2 P34972 1/20 0.39
RECQL P46063 1/20 0.39
CYP2D6 P10635 1/20 0.39
MEN1 O00255 1/20 0.39
F2 P00734 1/20 0.38
PLAU P00749 1/20 0.38
KLKB1 P03952 1/20 0.38
ELANE P08246 1/20 0.38

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
SCHEMBL1863547 1.00 ALDH1A1 (0.45) ALDH1A1LMNAPOLBKMT2APKM
Hydrochloric Acid SCHEMBL27975305 0.98 ALDH1A1 (0.44) ALDH1A1LMNAPOLBKMT2APKM
SCHEMBL1862772 0.94 ALDH1A1 (0.47) ALDH1A1LMNAPOLBKMT2APKM
SCHEMBL1861414 0.87 ALDH1A1 (0.49) ALDH1A1LMNAPOLBKMT2APKM
SCHEMBL1858132 0.81 POLB (0.50) ALDH1A1LMNAPOLBKMT2APKM
SCHEMBL1167139 0.81 KMT2A (0.51) ALDH1A1LMNAPOLBKMT2APKM
SCHEMBL21961350 0.80 ALDH1A1 (0.44) ALDH1A1LMNAPOLBKMT2APKM
SCHEMBL1862274 0.80 KMT2A (0.51) ALDH1A1LMNAPOLBKMT2APKM
SCHEMBL1167119 0.80 LMNA (0.42) ALDH1A1LMNAPOLBKMT2APKM
SCHEMBL10565495 0.79 POLB (0.43) ALDH1A1LMNAPOLBKMT2APKM

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-7935699-B2 Pyrazole glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2011-05-03 US disclosed
EP-2261216-A2 Pyrazoles as glucokinase activators F. Hoffmann-La Roche AG (CH) 2010-12-15 EP disclosed
CN-101541756-A Pyrazoles as glucokinase activators HOFFMANN LA ROCHE (CH) 2009-09-23 CN disclosed
EP-2046755-A2 PYRAZOLES AS GLUCOKINASE ACTIVATORS F. Hoffmann-Roche AG (CH) 2009-04-15 EP disclosed
WO-2008012227-A2 PYRAZOLES AS GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2008-01-31 WO disclosed
US-20080021032-A1 Pyrazole glucokinase activators BERTHEL STEVEN JOSEPH 2008-01-24 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 (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-20080021032-A1 Pyrazole glucokinase activators GCKR, GCK, GALK1 ALDH1A1 1567/4885LMNA 4599/4885POLB 2449/4885

“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.