SCHEMBL4333760

SCHEMBL4333760

CCN(CCc1ccccc1)C(=O)C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
LMNA P02545 3/20 0.49
CHRM2 P08172 1/20 0.47
HTR1A P08908 1/20 0.47
ADRA2A P08913 1/20 0.47
CHRM1 P11229 1/20 0.47
DRD1 P21728 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
ADRA1A P35348 1/20 0.47
OPRM1 P35372 1/20 0.47
DRD3 P35462 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KCNH2 Q12809 1/20 0.47
CA12 O43570 4/20 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
SCHEMBL4322915 0.92 ADRA1A (0.54) AOC3MEN1KMT2ALMNACHRM2
SCHEMBL28890091 0.90 TDP1 (0.58) AOC3MEN1KMT2ANPC1RAB9A
SCHEMBL27821149 0.86 AOC3 (0.55) AOC3MEN1KMT2ANPC1RAB9A
SCHEMBL2479873 0.82 LMNA (0.59) AOC3MEN1KMT2ANPC1RAB9A
SCHEMBL22232694 0.81 ALOX5 (0.53) AOC3MEN1KMT2ANPC1RAB9A
SCHEMBL27921047 0.81 AOC3 (0.56) AOC3MEN1KMT2ANPC1RAB9A
SCHEMBL3178773 0.79 AOC3 (0.53) AOC3MEN1KMT2ANPC1RAB9A
SCHEMBL1953503 0.78 TDP1 (0.61) AOC3MEN1KMT2ANPC1RAB9A
SCHEMBL28107769 0.78 MEN1 (0.61) AOC3MEN1KMT2ANPC1RAB9A
Anisole SCHEMBL27882352 0.77 ALOX5 (0.53) AOC3MEN1KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1719762-B1 NOVEL PYRIDINE DERIVATIVE AND PYRIMIDINE DERIVATIVE (1) EISAI R&D MAN CO LTD (JP) 2012-06-27 EP disclosed
US-7531532-B2 Hepatocyte growth factor receptor inhibitors; Antitumor agents, anticarcinogenic agents, angiogenesis inhibitors; pyrimidine derivatives like Pyrrolidine-1-carboxylic acid [6-(2-fluoro-4-{3-[2-(4-fluorophenyl)acetyl]thioureido}phenoxy)pyrimidin-4-yl]amide EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-05-12 US disclosed
US-20070270421-A1 Novel pyridine Derivative and Pyrimidine Derivative (1) EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-11-22 US disclosed
CN-1906167-A Novel pyridine derivative and pyrimidine derivative (2) EISAI CO LTD (JP) 2007-01-31 CN disclosed
CN-1906166-A Novel pyridine derivative and pyrimidine derivative (1) EISAI CO LTD (JP) 2007-01-31 CN disclosed
EP-1719763-A1 NOVEL PYRIDINE DERIVATIVE AND PYRIMIDINE DERIVATIVE (2) Eisai Co., Ltd. (JP) 2006-11-08 EP disclosed
EP-1719762-A1 NOVEL PYRIDINE DERIVATIVE AND PYRIMIDINE DERIVATIVE (1) Eisai Co., Ltd. (JP) 2006-11-08 EP disclosed
US-20050277652-A1 Novel pyridine derivative and pyrimidine derivative EISAI CO., LTD. (JP) 2005-12-15 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 (2 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-20070270421-A1 Novel pyridine Derivative and Pyrimidine Derivative (1) HGF, MET, FLT1 AOC3 2426/4885MEN1 3696/4885KMT2A 4095/4885
US-20050277652-A1 Novel pyridine derivative and pyrimidine derivative HGF, MET, HDGF AOC3 3001/4885MEN1 3870/4885KMT2A 4080/4885

“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.