SCHEMBL2991691

SCHEMBL2991691

CCCOc1ccnc(CO)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.39
ALDH1A1 P00352 5/20 0.37
MAPT P10636 4/20 0.37
CYP2C9 P11712 2/20 0.37
HPGD P15428 2/20 0.37
KMT2A Q03164 2/20 0.37
PDE4D Q08499 2/20 0.37
LMNA P02545 2/20 0.37
DDAH1 O94760 1/20 0.37
HTR1A P08908 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
IDE P14735 1/20 0.37
ADRA2B P18089 1/20 0.37
TBXA2R P21731 1/20 0.37
ACHE P22303 1/20 0.37
PTGS1 P23219 1/20 0.37
SLC6A2 P23975 1/20 0.37
NPY1R P25929 1/20 0.37
ADORA1 P30542 1/20 0.37
ADRA1A P35348 1/20 0.37

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
SCHEMBL2990106 0.92 CYP2C9 (0.40) ALDH1A1MAPTCYP2C9HPGDKMT2A
SCHEMBL2987646 0.90 CYP2C9 (0.38) ALDH1A1MAPTCYP2C9HPGDKMT2A
SCHEMBL2991770 0.89 LMNA (0.40) ALDH1A1MAPTCYP2C9HPGDKMT2A
SCHEMBL2992766 0.89 LMNA (0.40) ALDH1A1MAPTCYP2C9HPGDKMT2A
SCHEMBL2994288 0.89 LMNA (0.40) ALDH1A1MAPTCYP2C9HPGDKMT2A
SCHEMBL2989651 0.89 LMNA (0.40) ALDH1A1MAPTCYP2C9HPGDKMT2A
SCHEMBL2982818 0.89 LMNA (0.40) ALDH1A1MAPTCYP2C9HPGDKMT2A
SCHEMBL8503292 0.88 ALDH1A1 (0.38) ALDH1A1MAPTCYP2C9HPGDKMT2A
SCHEMBL8088378 0.86 ALDH1A1 (0.39) ALDH1A1MAPTCYP2C9HPGDKMT2A
SCHEMBL2991803 0.86 SMN1; SMN2 (0.44) IKBKBALDH1A1MAPTCYP2C9HPGD

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 9 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
EP-0175464-B1 BENZIMIDAZOLE DERIVATIVES AND THEIR PRODUCTION Takeda Chemical Industries, Ltd. (JP) 1992-03-18 EP disclosed
US-4727150-A ANTIULCER AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-02-23 US disclosed
EP-0175464-A1 Benzimidazole derivatives and their production Takeda Chemical Industries, Ltd. (JP) 1986-03-26 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 IKBKB 537/4885ALDH1A1 1629/4885MAPT 4670/4885

“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.