SCHEMBL5515124

SCHEMBL5515124

N#Cc1cccc([N]C=O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 3/20 0.42
LMNA P02545 2/20 0.42
MPI P34949 1/20 0.42
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
FBP1 P09467 3/20 0.40
ENPP2 Q13822 1/20 0.40
GRIN2D O15399 2/20 0.39
GRIN3B O60391 2/20 0.39
GRIN1 Q05586 2/20 0.39
GRIN2A Q12879 2/20 0.39
GRIN2B Q13224 2/20 0.39
GRIN2C Q14957 2/20 0.39
GRIN3A Q8TCU5 2/20 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
SCHEMBL141449 0.78 ALDH1A1 (0.43) GLAALDH1A1MAPTLMNAMPI
SCHEMBL10311338 0.78 CLK4 (0.46) GLAALDH1A1MAPTLMNAMPI
SCHEMBL4088185 0.77 ALDH1A1 (0.47) ALDH1A1MAPTLMNAMPICACNA1B
SCHEMBL11709267 0.75 ALDH1A1 (0.46) ALDH1A1MAPTLMNAMPICACNA1B
SCHEMBL5526463 0.75 NOS3 (0.45) ALDH1A1LMNAKDM4EFBP1ENPP2
SCHEMBL11709274 0.74 ALDH1A1 (0.45) ALDH1A1MAPTLMNAMPICACNA1B
SCHEMBL29406199 0.74 TSHR (0.54) ALDH1A1MAPTLMNAMPICACNA1B
SCHEMBL16620675 0.74 ALDH1A1 (0.45) ALDH1A1MAPTLMNAMPICACNA1B
SCHEMBL7053512 0.74 ENPP2 (0.48) GLAALDH1A1MAPTLMNAMPI
SCHEMBL16620279 0.73 ALDH1A1 (0.48) GLAALDH1A1MAPTLMNAMPI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7241770-B2 Hydronopol derivatives as agonists on human ORL1 receptors SOLVAY PHARMACEUTICALS GMBH (DE) 2007-07-10 US disclosed
US-20050131004-A1 Hydronopol derivatives as agonists on human ORL1 receptors SOLVAY PHARMACEUTICALS GMBH. 2005-06-16 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-20050131004-A1 Hydronopol derivatives as agonists on human ORL1 receptors OPRL1, ORMDL3, OGFRL1 GLA 4603/4885ALDH1A1 498/4885MAPT 1841/4885

“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.