SCHEMBL13314271

SCHEMBL13314271

O=c1[nH]cc(-c2cccnn2)c(=O)[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
LMNA P02545 2/20 0.40
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
CDC42BPB Q9Y5S2 1/20 0.39
NT5E P21589 5/20 0.38
DPYD Q12882 3/20 0.36
GAA P10253 1/20 0.36
ATAD2 Q6PL18 1/20 0.36
MAPT P10636 1/20 0.36
CYP19A1 P11511 1/20 0.36
TSHR P16473 1/20 0.36
THPO P40225 1/20 0.36
MTOR P42345 1/20 0.36
HTT P42858 1/20 0.36
HBB P68871 1/20 0.36
PMP22 Q01453 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL30512940 1.00 ALDH1A1 (0.50) ALDH1A1LMNAPRMT5WDR77ROCK2
Hydrochloric Acid SCHEMBL3561066 0.98 ALDH1A1 (0.49) ALDH1A1LMNAPRMT5WDR77ROCK2
SCHEMBL8675092 0.78 ALDH1A1 (0.56) ALDH1A1LMNAROCK2ROCK1CDC42BPB
SCHEMBL1555373 0.73 ALDH1A1 (0.50) ALDH1A1LMNANT5EDPYDGAA
SCHEMBL24300828 0.73 HTT (0.50) ALDH1A1LMNANT5EDPYDGAA
SCHEMBL13314211 0.72 ALDH1A1 (0.49) ALDH1A1LMNADPYDGAAATAD2
SCHEMBL13314195 0.72 ALDH1A1 (0.49) ALDH1A1LMNANT5EDPYDGAA
SCHEMBL3559799 0.72 ALDH1A1 (0.49) ALDH1A1LMNANT5EATAD2
Hydrochloric Acid SCHEMBL3566887 0.71 ALDH1A1 (0.47) ALDH1A1LMNANT5EDPYDGAA
Hydrochloric Acid SCHEMBL3558331 0.71 ALDH1A1 (0.47) ALDH1A1LMNANT5EATAD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2007750-B1 AZABICYCLO [3. 1. 0] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LTD (GB) 2013-08-21 EP disclosed
US-7727988-B2 Azabicyclo[3.1.0]hex-3-yl}alkyl)pyrimidinedione GLAXO GROUP LIMITED (GB) 2010-06-01 US disclosed
US-7727988-B2 Azabicyclo[3.1.0]hex-3-yl}alkyl)pyrimidinedione GLAXO GROUP LIMITED (GB) 2010-06-01 US disclosed
US-20070249642-A1 Azabicyclo[3.1.0]hex-3-yl}alkyl)pyrimidinedione GLAXO GROUP LIMITED (GB) 2007-10-25 US disclosed
US-20070249642-A1 Azabicyclo[3.1.0]hex-3-yl}alkyl)pyrimidinedione GLAXO GROUP LIMITED (GB) 2007-10-25 US disclosed
WO-2007113232-A1 AZABICYCLO [3. 1. 0] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2007-10-11 WO 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-20070249642-A1 Azabicyclo[3.1.0]hex-3-yl}alkyl)pyrimidinedione AZI2, NT5C3B, CYP1B1 ALDH1A1 87/4885LMNA 3803/4885PRMT5 838/4885

“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.