SCHEMBL2994967

SCHEMBL2994967

CCCCCOc1ccnc(CCl)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 2/20 0.40
THRB P10828 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PDE4D Q08499 3/20 0.36
PDE5A O76074 3/20 0.36
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36
CYP2C9 P11712 4/20 0.36
MCHR1 Q99705 2/20 0.36
TLR8 Q9NR97 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP19A1 P11511 1/20 0.36
LMNA P02545 2/20 0.36
HTR2B P41595 2/20 0.36
KMT2A Q03164 2/20 0.36
DDAH1 O94760 1/20 0.36

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
SCHEMBL2990196 0.98 MAPT (0.39) MAPTALDH1A1GAATHRBNPSR1
SCHEMBL2985046 0.98 MAPT (0.39) MAPTALDH1A1GAATHRBNPSR1
SCHEMBL2989894 0.98 MAPT (0.39) MAPTALDH1A1GAATHRBNPSR1
SCHEMBL2989335 0.98 MAPT (0.39) MAPTALDH1A1GAATHRBNPSR1
SCHEMBL2986266 0.98 MAPT (0.39) MAPTALDH1A1GAATHRBNPSR1
SCHEMBL27971566 0.95 CYP2C9 (0.40) MAPTALDH1A1GAATHRBNPSR1
Hydrochloric Acid SCHEMBL6865752 0.89 MAPT (0.36) MAPTALDH1A1GAATHRBNPSR1
Hydrochloric Acid SCHEMBL10713305 0.89 ALDH1A1 (0.39) MAPTALDH1A1GAATHRBNPSR1
SCHEMBL6872706 0.88 MAPT (0.38) MAPTALDH1A1GAATHRBNPSR1
SCHEMBL6861334 0.85 MAPT (0.35) MAPTALDH1A1GAAPDE4DCYP2C9

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 MAPT 4670/4885ALDH1A1 1629/4885GAA 140/4885

“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.