SCHEMBL2990405

SCHEMBL2990405

CCCCCCOc1ccnc(CSc2nc3ccccc3[nH]2)c1C

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.70
CYP2C9 P11712 4/20 0.70
NPC1 O15118 3/20 0.70
CYP1A2 P05177 2/20 0.70
CYP2D6 P10635 2/20 0.70
CYP2C19 P33261 2/20 0.70
CYP3A4 P08684 1/20 0.70
PTGS2 P35354 1/20 0.54
KMT2A Q03164 5/20 0.53
MAPT P10636 4/20 0.53
LMNA P02545 4/20 0.53
HTT P42858 3/20 0.53
MEN1 O00255 3/20 0.52
GALR3 O60755 1/20 0.52
STAT3 P40763 1/20 0.52
AR P10275 3/20 0.51
HPGD P15428 2/20 0.49
ALDH1A1 P00352 2/20 0.49
DDAH1 O94760 1/20 0.49
HTR1A P08908 1/20 0.49

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
SCHEMBL2990296 1.00 RAB9A (0.70) RAB9ACYP2C9NPC1CYP1A2CYP2D6
SCHEMBL2986536 1.00 RAB9A (0.70) RAB9ACYP2C9NPC1CYP1A2CYP2D6
SCHEMBL2983674 1.00 RAB9A (0.70) RAB9ACYP2C9NPC1CYP1A2CYP2D6
SCHEMBL2992805 1.00 RAB9A (0.70) RAB9ACYP2C9NPC1CYP1A2CYP2D6
SCHEMBL2983653 0.99 RAB9A (0.71) RAB9ACYP2C9NPC1CYP1A2CYP2D6
SCHEMBL2986625 0.96 RAB9A (0.72) RAB9ACYP2C9NPC1CYP1A2CYP2D6
SCHEMBL2992736 0.93 RAB9A (0.74) RAB9ACYP2C9NPC1CYP1A2CYP2D6
SCHEMBL1734261 0.91 CYP2C9 (0.68) RAB9ACYP2C9NPC1CYP1A2CYP2D6
SCHEMBL1733381 0.91 CYP2C9 (0.68) RAB9ACYP2C9NPC1CYP1A2CYP2D6
SCHEMBL1733368 0.91 CYP2C9 (0.68) RAB9ACYP2C9NPC1CYP1A2CYP2D6

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 4 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
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
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 RAB9A 198/4885CYP2C9 1342/4885NPC1 1869/4885

“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.