SCHEMBL2774863

SCHEMBL2774863

CSC=C(C)n1c(=O)n(Cc2ccc([N+](=O)[O-])cc2)c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.52
P2RX4 Q99571 1/20 0.50
MEN1 O00255 3/20 0.48
LMNA P02545 2/20 0.47
GAA P10253 2/20 0.44
MAPT P10636 5/20 0.44
HTT P42858 3/20 0.44
MITF O75030 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
TP53 P04637 1/20 0.44
THRB P10828 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
XBP1 P17861 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.41
SRC P12931 1/20 0.41
PRKACA P17612 1/20 0.41
PRKACG P22612 1/20 0.41
PRKACB P22694 1/20 0.41

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
SCHEMBL2774860 1.00 KMT2A (0.52) KMT2AP2RX4MEN1LMNAGAA
SCHEMBL2774862 1.00 KMT2A (0.52) KMT2AP2RX4MEN1LMNAGAA
SCHEMBL8468252 0.90 KMT2A (0.49) KMT2AP2RX4MEN1LMNAGAA
SCHEMBL2775582 0.86 MEN1 (0.53) KMT2AP2RX4MEN1LMNAGAA
SCHEMBL2775579 0.86 MEN1 (0.53) KMT2AP2RX4MEN1LMNAGAA
SCHEMBL2775584 0.86 MEN1 (0.53) KMT2AP2RX4MEN1LMNAGAA
SCHEMBL4875253 0.79 KMT2A (0.71) KMT2AP2RX4MEN1LMNAMAPT
SCHEMBL2777224 0.77 TMEM97 (0.43) KMT2AMEN1LMNAGAAMAPT
SCHEMBL2777232 0.77 TMEM97 (0.43) KMT2AMEN1LMNAGAAMAPT
SCHEMBL2777229 0.77 TMEM97 (0.43) KMT2AMEN1LMNAGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7906541-B2 Process to prepare new substituted 1H-benzo[d]imidazol-2(3H)-ones, new intermediates and their use as BACE 1 inhibitors UNIVERSITE PAUL CEZANNE-AIX MARSEILLE III (FR) 2011-03-15 US claimed
US-20100120880-A1 PROCESS TO PREPARE NEW SUBSITUTED 1H-BENZO[d]IMIDAZOL-2(3H)-ONES, NEW INTERMEDIATES AND THEIR USE AS BACE 1 INHIBITORS UNIVERSITE PAUL CEZANNE-AIX MARSEILLE III (FR) 2010-05-13 US claimed
US-7906541-B2 Process to prepare new substituted 1H-benzo[d]imidazol-2(3H)-ones, new intermediates and their use as BACE 1 inhibitors UNIVERSITE PAUL CEZANNE-AIX MARSEILLE III (FR) 2011-03-15 US disclosed
US-20100120880-A1 PROCESS TO PREPARE NEW SUBSITUTED 1H-BENZO[d]IMIDAZOL-2(3H)-ONES, NEW INTERMEDIATES AND THEIR USE AS BACE 1 INHIBITORS UNIVERSITE PAUL CEZANNE-AIX MARSEILLE III (FR) 2010-05-13 US disclosed
EP-2184276-A1 Process to prepare new substituted 1H-Benzo(d) imidazol-2(3h)-Ones, New intermediates and their use as bace 1 inhibitors UNIVERSITE PAUL CEZANNE AIX-MARSEILLE III (FR) 2010-05-12 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-20100120880-A1 PROCESS TO PREPARE NEW SUBSITUTED 1H-BENZO[d]IMIDAZOL-2(3H)-ONES, NEW INTERMEDIATES AND THEIR USE AS BACE 1 INHIBITORS BACE1, BACE2, PSEN1 KMT2A 4124/4885P2RX4 2636/4885MEN1 3961/4885

“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.