SCHEMBL13314219

SCHEMBL13314219

O=c1[nH]cc(-c2cccnc2Cl)c(=O)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 1/20 0.39
S100A4 P26447 1/20 0.38
CDC25B P30305 1/20 0.38
BTK Q06187 1/20 0.37
ADORA1 P30542 1/20 0.36
GAA P10253 2/20 0.35
DPYD Q12882 1/20 0.35
TDP2 O95551 1/20 0.35
NSD2 O96028 1/20 0.35
ABL1 P00519 1/20 0.35
PLCG1 P19174 1/20 0.35
CES1 P23141 1/20 0.35
PAX8 Q06710 1/20 0.35
RIN1 Q13671 1/20 0.35
THRB P10828 1/20 0.35

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
Hydrochloric Acid SCHEMBL3557122 0.98 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL13314211 0.81 ALDH1A1 (0.49) ALDH1A1MEN1KMT2ALMNAGAA
Hydrochloric Acid SCHEMBL3566887 0.79 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ALMNAGAA
SCHEMBL13314234 0.77 ALDH1A1 (0.45) ALDH1A1LMNADPYD
Hydrochloric Acid SCHEMBL3561089 0.76 ALDH1A1 (0.44) ALDH1A1LMNADPYD
SCHEMBL5801644 0.74 ALDH1A1 (0.64) ALDH1A1LMNAGAADPYDATAD2
SCHEMBL8675092 0.73 ALDH1A1 (0.56) ALDH1A1NPC1RAB9ALMNABTK
SCHEMBL13314237 0.73 ALDH1A1 (0.44) ALDH1A1LMNAS100A4ADORA1GAA
Hydrochloric Acid SCHEMBL3566623 0.72 ALDH1A1 (0.42) ALDH1A1LMNAS100A4ADORA1GAA
SCHEMBL13314193 0.72 ALDH1A1 (0.41) ALDH1A1LMNAGAADPYDATAD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 87/4885MEN1 664/4885KMT2A 1692/4885

“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.