SCHEMBL2763124

SCHEMBL2763124

O=C(C(=NO)c1ccccn1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.58
CES2 O00748 2/20 0.55
CES1 P23141 2/20 0.55
LMNA P02545 2/20 0.53
NAPRT Q6XQN6 1/20 0.53
P4HTM Q9NXG6 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MEN1 O00255 1/20 0.49
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
PKM P14618 2/20 0.49
GAA P10253 2/20 0.49
AGTR1 P30556 1/20 0.49
MITF O75030 1/20 0.49
CDK5 Q00535 1/20 0.49
CDK5R1 Q15078 1/20 0.49
KDM4E B2RXH2 4/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 2/20 0.47
MAPT P10636 1/20 0.46

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
SCHEMBL2763123 1.00 KMT2A (0.58) KMT2ACES2CES1LMNANAPRT
SCHEMBL22559238 0.84 LMNA (0.59) KMT2ACES2CES1LMNANAPRT
SCHEMBL3263280 0.84 LMNA (0.59) KMT2ACES2CES1LMNANAPRT
SCHEMBL3263278 0.84 LMNA (0.59) KMT2ACES2CES1LMNANAPRT
SCHEMBL13609700 0.81 KDM4E (0.63) KMT2ACES2CES1LMNANAPRT
SCHEMBL6979235 0.80 NPC1 (0.40) KMT2ACES2CES1LMNANAPRT
SCHEMBL5012058 0.80 CES1 (0.79) KMT2ACES2CES1LMNANAPRT
SCHEMBL30161092 0.80 CES1 (0.79) KMT2ACES2CES1LMNANAPRT
SCHEMBL4353902 0.77 GAA (0.65) KMT2ACES2CES1LMNANAPRT
SCHEMBL12997589 0.77 GAA (0.65) KMT2ACES2CES1LMNANAPRT

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-7825264-B2 Substituted heterocycles, their use as medicament, and pharmaceutical preparations comprising them SANOFI-AVENTIS (FR) 2010-11-02 US disclosed
EP-1899320-B1 SUBSTITUTED PYRR0LIDIN-2-0NES , PIPERIDIN-2-0NES AND ISOTHIAZOLIDINE-1, 1-DIOXIDES, THEIR USE AS KV1 .5 POTASSIUM CHANNEL BLOCKERS AND PHARMACEUTICAL PREPARATIONS COMPRISING THEM SANOFI AVENTIS (FR) 2010-10-20 EP disclosed
US-20080188520-A1 Substituted heterocycles, their use as medicament, and pharmaceutical preparations comprising them SANOFI-AVENTIS (FR) 2008-08-07 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-20080188520-A1 Substituted heterocycles, their use as medicament, and pharmaceutical preparations comprising them KCNH1, MLLT3, CYP1A2 KMT2A 2643/4885CES2 817/4885CES1 1037/4885

“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.