SCHEMBL2992736

SCHEMBL2992736

CCCOc1ccnc(CSc2nc3ccccc3[nH]2)c1C

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.74
NPC1 O15118 5/20 0.74
CYP2C9 P11712 4/20 0.74
CYP1A2 P05177 2/20 0.74
CYP2D6 P10635 2/20 0.74
CYP2C19 P33261 2/20 0.74
CYP3A4 P08684 1/20 0.74
KMT2A Q03164 5/20 0.60
MAPT P10636 4/20 0.60
HTT P42858 3/20 0.60
MEN1 O00255 3/20 0.60
GALR3 O60755 1/20 0.60
STAT3 P40763 1/20 0.60
AR P10275 3/20 0.54
LMNA P02545 3/20 0.53
NOS3 P29474 1/20 0.51
NOS1 P29475 1/20 0.51
NOS2 P35228 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
CYP2E1 P05181 1/20 0.50

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
SCHEMBL2986625 0.94 RAB9A (0.72) RAB9ANPC1CYP2C9CYP1A2CYP2D6
SCHEMBL2983653 0.94 RAB9A (0.71) RAB9ANPC1CYP2C9CYP1A2CYP2D6
SCHEMBL2990405 0.93 RAB9A (0.70) RAB9ANPC1CYP2C9CYP1A2CYP2D6
SCHEMBL2990296 0.93 RAB9A (0.70) RAB9ANPC1CYP2C9CYP1A2CYP2D6
SCHEMBL2992805 0.93 RAB9A (0.70) RAB9ANPC1CYP2C9CYP1A2CYP2D6
SCHEMBL2983674 0.93 RAB9A (0.70) RAB9ANPC1CYP2C9CYP1A2CYP2D6
SCHEMBL2986536 0.93 RAB9A (0.70) RAB9ANPC1CYP2C9CYP1A2CYP2D6
SCHEMBL31515434 0.91 CYP2C9 (0.74) RAB9ANPC1CYP2C9CYP1A2CYP2D6
SCHEMBL8501307 0.91 CYP2C9 (0.74) RAB9ANPC1CYP2C9CYP1A2CYP2D6
SCHEMBL2990343 0.91 RAB9A (0.77) RAB9ANPC1CYP2C9CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-61050979-A None JP disclosed
US-8778975-B2 Helicobacter pylori eradicating agent having inhibitory activity on gastric acid secretion Link Geonomics, Inc. (JP) 2014-07-15 US 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-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
JP-S6150979-A PYRIDINE DERIVATIVE AND PREPARATION THEREOF TAKEDA CHEM IND LTD 1986-03-13 JP 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 198/4885NPC1 1869/4885CYP2C9 1342/4885

“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.