SCHEMBL2990106

SCHEMBL2990106

CCCCOc1ccnc(CO)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 5/20 0.40
CYP1A2 P05177 3/20 0.40
CYP2C19 P33261 3/20 0.40
CYP19A1 P11511 2/20 0.40
WDR5 P61964 2/20 0.39
KMT2A Q03164 2/20 0.39
PDE4D Q08499 2/20 0.39
DDAH1 O94760 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HTR1A P08908 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
MAPT P10636 1/20 0.39
IDE P14735 1/20 0.39
HPGD P15428 1/20 0.39
ADRA2B P18089 1/20 0.39
TBXA2R P21731 1/20 0.39
ACHE P22303 1/20 0.39
PTGS1 P23219 1/20 0.39
SLC6A2 P23975 1/20 0.39

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
SCHEMBL2987646 0.95 CYP2C9 (0.38) CYP2C9CYP1A2CYP2C19CYP19A1WDR5
SCHEMBL2989651 0.94 LMNA (0.40) CYP2C9WDR5KMT2APDE4DDDAH1
SCHEMBL2991770 0.94 LMNA (0.40) CYP2C9WDR5KMT2APDE4DDDAH1
SCHEMBL2992766 0.94 LMNA (0.40) CYP2C9WDR5KMT2APDE4DDDAH1
SCHEMBL2994288 0.94 LMNA (0.40) CYP2C9WDR5KMT2APDE4DDDAH1
SCHEMBL2982818 0.94 LMNA (0.40) CYP2C9WDR5KMT2APDE4DDDAH1
SCHEMBL2991691 0.92 IKBKB (0.39) CYP2C9WDR5KMT2APDE4DDDAH1
SCHEMBL8088378 0.88 ALDH1A1 (0.39) CYP2C9WDR5KMT2APDE4DDDAH1
SCHEMBL1308045 0.87 KMT2A (0.49) CYP2C9WDR5KMT2APDE4DDDAH1
SCHEMBL6865773 0.87 LOX (0.41) CYP2C9WDR5KMT2APDE4DDDAH1

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 CYP2C9 1342/4885CYP1A2 2314/4885CYP2C19 599/4885

“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.