SCHEMBL13645586

SCHEMBL13645586

[2H]C([2H])([2H])OCCOc1ccnc(CSc2nc3ccccc3[nH]2)c1C

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.68
NPC1 O15118 5/20 0.68
CYP2C9 P11712 4/20 0.68
CYP1A2 P05177 2/20 0.68
CYP2D6 P10635 2/20 0.68
CYP2C19 P33261 2/20 0.68
CYP3A4 P08684 1/20 0.68
AR P10275 5/20 0.50
KMT2A Q03164 4/20 0.49
MAPT P10636 3/20 0.49
LMNA P02545 3/20 0.49
HTT P42858 2/20 0.49
DDAH1 O94760 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HTR1A P08908 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
IDE P14735 1/20 0.48
HPGD P15428 1/20 0.48
ADRA2B P18089 1/20 0.48
TBXA2R P21731 1/20 0.48

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
SCHEMBL5352269 0.93 RAB9A (0.72) RAB9ANPC1CYP2C9CYP1A2CYP2D6
SCHEMBL8501939 0.90 RAB9A (0.68) RAB9ANPC1CYP2C9CYP1A2CYP2D6
SCHEMBL31515434 0.89 CYP2C9 (0.74) RAB9ANPC1CYP2C9CYP1A2CYP2D6
SCHEMBL29538889 0.88 RAB9A (0.71) RAB9ANPC1CYP2C9CYP1A2CYP2D6
SCHEMBL8502308 0.88 RAB9A (0.71) RAB9ANPC1CYP2C9CYP1A2CYP2D6
SCHEMBL1306777 0.88 RAB9A (0.71) RAB9ANPC1CYP2C9CYP1A2CYP2D6
SCHEMBL8500695 0.88 NPC1 (0.71) RAB9ANPC1CYP2C9CYP1A2CYP2D6
SCHEMBL2992736 0.87 RAB9A (0.74) RAB9ANPC1CYP2C9CYP1A2CYP2D6
SCHEMBL8501307 0.87 CYP2C9 (0.74) RAB9ANPC1CYP2C9CYP1A2CYP2D6
SCHEMBL13645575 0.87 RAB9A (0.65) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598273-B2 Inhibitors of the gastric H+, K+-ATPase with enhanced therapeutic properties AUSPEX PHARMACEUTICALS, INC (US) 2009-10-06 US disclosed
US-20090215831-A1 INHIBITORS OF THE GASTRIC H+, K+-ATPASE WITH ENHANCED THERAPEUTIC PROPERTIES AUSPEX PHARMACEUTICALS, INC. (US) 2009-08-27 US disclosed
US-20090209592-A1 INHIBITORS OF THE GASTRIC H+, K+-ATPASE WITH ENHANCED THERAPEUTIC PROPERTIES AUSPEX PHARMACEUTICALS, INC. (US) 2009-08-20 US disclosed
US-20070082929-A1 Inhibitors of the gastric H+, K+-atpase with enhanced therapeutic properties AUSPEX PHARMACEUTICALS, INC. 2007-04-12 US 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 (3 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-20090209592-A1 INHIBITORS OF THE GASTRIC H+, K+-ATPASE WITH ENHANCED THERAPEUTIC PROPERTIES ATP4A, ATP6V1G1, ATP6V1E1 RAB9A 784/4885NPC1 2011/4885CYP2C9 2123/4885
US-20070082929-A1 Inhibitors of the gastric H+, K+-atpase with enhanced therapeutic properties ATP4A, ATP6V1G1, ATP6V1E1 RAB9A 784/4885NPC1 2011/4885CYP2C9 2123/4885
US-20090215831-A1 INHIBITORS OF THE GASTRIC H+, K+-ATPASE WITH ENHANCED THERAPEUTIC PROPERTIES ATP4A, ATP6V1G1, ATP6V1E1 RAB9A 784/4885NPC1 2011/4885CYP2C9 2123/4885

“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.