SCHEMBL15664782

SCHEMBL15664782

[2H]C([2H])([2H])Oc1ncccc1C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.54
PARP1 P09874 1/20 0.47
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
NNMT P40261 1/20 0.44
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
AHR P35869 1/20 0.43
ROCK2 O75116 4/20 0.41
TDP1 Q9NUW8 1/20 0.41
DRD1 P21728 1/20 0.40
NAPRT Q6XQN6 1/20 0.40
HTT P42858 1/20 0.39

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
SCHEMBL29786037 1.00 RAB9A (0.54) RAB9APARP1KDM4EALDH1A1HPGD
SCHEMBL1723847 0.88 RAB9A (0.58) RAB9APARP1KDM4EALDH1A1HPGD
SCHEMBL29980732 0.88 RAB9A (0.58) RAB9APARP1KDM4EALDH1A1HPGD
Methane SCHEMBL25344317 0.86 RAB9A (0.56) RAB9APARP1KDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL16797856 0.86 RAB9A (0.56) RAB9APARP1KDM4EALDH1A1HPGD
SCHEMBL31182075 0.85 TDP1 (0.52) RAB9AKDM4EALDH1A1MAPTSMN1; SMN2
Formic Acid SCHEMBL9954308 0.82 RAB9A (0.52) RAB9APARP1KDM4EALDH1A1HPGD
Trifluoroacetic Acid SCHEMBL29810625 0.78 RAB9A (0.49) RAB9APARP1KDM4EALDH1A1HPGD
Trifluoroacetic Acid SCHEMBL484379 0.78 RAB9A (0.49) RAB9APARP1KDM4EALDH1A1HPGD
SCHEMBL4724490 0.78 L3MBTL1 (0.58) RAB9AKDM4EALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140128385-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS NOVARTIS AG (CH) 2014-05-08 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 (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-20140128385-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS BACE2, BACE1, IAPP RAB9A 1227/4885PARP1 2484/4885KDM4E 3316/4885

“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.