SCHEMBL1865448

SCHEMBL1865448

COC(=O)c1cccc(Cn2ccc([N+](=O)[O-])n2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABHD6 Q9BV23 1/20 0.52
CD74 P04233 1/20 0.50
MIF P14174 1/20 0.50
LOXL2 Q9Y4K0 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
LMNA P02545 2/20 0.48
KMT2A Q03164 4/20 0.47
MEN1 O00255 2/20 0.47
MAPK10 P53779 1/20 0.47
CYP4F2 P78329 2/20 0.47
CYP4A11 Q02928 2/20 0.47
POLB P06746 1/20 0.45
PKM P14618 1/20 0.45
MAPT P10636 2/20 0.44
IDO1 P14902 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL185087 0.85 LMNA (0.53) LOXL2SMN1; SMN2ALDH1A1GAALMNA
SCHEMBL1861110 0.81 ALDH1A1 (0.59) ABHD6CD74MIFLOXL2ALDH1A1
SCHEMBL17316399 0.81 HDAC1 (0.50) CD74MIFSMN1; SMN2ALDH1A1GAA
SCHEMBL2643583 0.79 KMT2A (0.61) SMN1; SMN2ALDH1A1GAALMNAKMT2A
SCHEMBL27765571 0.78 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1GAALMNAKMT2A
SCHEMBL31316911 0.77 TP53 (0.54) ALDH1A1GAAKMT2AMEN1MAPT
SCHEMBL27787387 0.76 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1GAALMNAKMT2A
SCHEMBL1870854 0.76 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1GAALMNAKMT2A
SCHEMBL28116367 0.76 RECQL (0.52) SMN1; SMN2ALDH1A1LMNAKMT2APKM
SCHEMBL1167317 0.75 ALDH1A1 (0.59) SMN1; SMN2ALDH1A1GAALMNAKMT2A

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 3 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
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 ABHD6 1605/4885CD74 4400/4885MIF 4169/4885

“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.