SCHEMBL2989651

SCHEMBL2989651

CCCCCCOc1ccnc(CO)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
HTR2B P41595 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
NR1I2 O75469 1/20 0.40
CHRM2 P08172 1/20 0.40
CYP3A4 P08684 1/20 0.40
ADRA2A P08913 1/20 0.40
OPRK1 P41145 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
NR5A1 Q13285 1/20 0.40
SMPD1 P17405 4/20 0.38
ESR1 P03372 2/20 0.38
PDE4D Q08499 2/20 0.38
PDE5A O76074 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38

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
SCHEMBL2991770 1.00 LMNA (0.40) LMNAMAPTHTR2BKMT2AMEN1
SCHEMBL2992766 1.00 LMNA (0.40) LMNAMAPTHTR2BKMT2AMEN1
SCHEMBL2994288 1.00 LMNA (0.40) LMNAMAPTHTR2BKMT2AMEN1
SCHEMBL2982818 1.00 LMNA (0.40) LMNAMAPTHTR2BKMT2AMEN1
SCHEMBL2987646 0.98 CYP2C9 (0.38) LMNAMAPTHTR2BKMT2AMEN1
SCHEMBL2990106 0.94 CYP2C9 (0.40) LMNAMAPTHTR2BKMT2ACYP3A4
SCHEMBL1733364 0.89 LOX (0.41) LMNAMAPTHTR2BKMT2APDE4D
SCHEMBL1733377 0.89 LOX (0.41) LMNAMAPTHTR2BKMT2APDE4D
SCHEMBL1735527 0.89 LOX (0.41) LMNAMAPTHTR2BKMT2APDE4D
SCHEMBL1733376 0.89 LOX (0.41) LMNAMAPTHTR2BKMT2APDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8778975-B2 Helicobacter pylori eradicating agent having inhibitory activity on gastric acid secretion Link Geonomics, Inc. (JP) 2014-07-15 US disclosed
CN-101553480-B Helicobacter pylori degerming agent with gastric acid secretion inhibiting effect ARIGEN PHARMACEUTICALS INC 2013-06-05 CN disclosed
EP-2103608-B1 HELICOBACTER PYLORI ERADICATING AGENT HAVING INHIBITORY ACTIVITY ON GASTRIC ACID SECRETION ARIGEN PHARMACEUTICALS INC (JP) 2012-08-29 EP disclosed
US-20100173944-A1 HELICOBACTER PYLORI ERADICATING AGENT HAVING INHIBITORY ACTIVITY ON GASTRIC ACID SECRETION ARIGEN PHARMACEUTICALS, INC. (JP) 2010-07-08 US disclosed
CN-101553480-A Helicobacter pylori degerming agent with gastric acid secretion inhibiting effect ARIGEN PHARMACEUTICALS INC (JP) 2009-10-07 CN disclosed
EP-2103608-A1 HELICOBACTER PYLORI ERADICATING AGENT HAVING INHIBITORY ACTIVITY ON GASTRIC ACID SECRETION Arigen, Pharmaceuticals, Inc. (JP) 2009-09-23 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-20100173944-A1 HELICOBACTER PYLORI ERADICATING AGENT HAVING INHIBITORY ACTIVITY ON GASTRIC ACID SECRETION GIPR, PGC, SLC10A2 LMNA 4875/4885MAPT 4670/4885HTR2B 3954/4885

“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.