SCHEMBL1336792

SCHEMBL1336792

O=C(O)N(Cc1ccncc1)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.62
PKM P14618 3/20 0.62
HTT P42858 2/20 0.62
KDM4E B2RXH2 1/20 0.62
LMNA P02545 4/20 0.53
MAPT P10636 3/20 0.53
ATM Q13315 2/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
HPGD P15428 1/20 0.50
SLC2A1 P11166 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
POLB P06746 2/20 0.45

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
SCHEMBL1336794 1.00 ALDH1A1 (0.62) ALDH1A1PKMHTTKDM4ELMNA
SCHEMBL3052803 0.87 ALDH1A1 (0.68) ALDH1A1PKMHTTKDM4ELMNA
SCHEMBL23320462 0.84 POLB (0.57) ALDH1A1PKMHTTKDM4ELMNA
SCHEMBL4707186 0.81 TRPM8 (0.60) ALDH1A1PKMHTTKDM4ELMNA
SCHEMBL3065721 0.80 ALDH1A1 (0.62) ALDH1A1PKMHTTKDM4ELMNA
SCHEMBL1336971 0.80 POLB (0.46) ALDH1A1PKMHTTKDM4ELMNA
SCHEMBL1336969 0.80 POLB (0.46) ALDH1A1PKMHTTKDM4ELMNA
SCHEMBL31707848 0.78 ALDH1A1 (0.53) ALDH1A1PKMHTTKDM4ELMNA
SCHEMBL1336106 0.78 BCL2A1 (0.50) ALDH1A1HTTKDM4ELMNAMAPT
SCHEMBL1335652 0.77 RAB9A (0.47) ALDH1A1HTTLMNAMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110275678-A1 New Pyridine Derivatives as Leptin Receptor Modulator Mimetics BIOVITRUM AB (SE) 2011-11-10 US claimed
EP-2313094-A1 NEW PYRIDINE DERIVATIVES AS LEPTIN RECEPTOR MODULATOR MIMETICS AstraZeneca AB (SE) 2011-04-27 EP claimed
US-20110275678-A1 New Pyridine Derivatives as Leptin Receptor Modulator Mimetics BIOVITRUM AB (SE) 2011-11-10 US disclosed
EP-2313094-A1 NEW PYRIDINE DERIVATIVES AS LEPTIN RECEPTOR MODULATOR MIMETICS AstraZeneca AB (SE) 2011-04-27 EP 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-20110275678-A1 New Pyridine Derivatives as Leptin Receptor Modulator Mimetics GPR119, GLP1R, ADIPOR1 ALDH1A1 2141/4885PKM 821/4885HTT 4177/4885

“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.