SCHEMBL4769064

SCHEMBL4769064

Cc1c([N+](=O)[O-])c(=O)n(C2CCC2)c(=O)n1CCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 2/20 0.41
CACNA1H O95180 2/20 0.41
TAAR1 Q96RJ0 1/20 0.41
HPGD P15428 3/20 0.40
MAPT P10636 3/20 0.40
GAA P10253 2/20 0.40
ALDH1A1 P00352 4/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
AR P10275 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TSHR P16473 2/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
C5AR1 P21730 1/20 0.38

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
SCHEMBL4762648 0.82 MAPT (0.49) HPGDMAPTGAAALDH1A1HTT
SCHEMBL4867656 0.81 CACNA1G (0.36) CACNA1GCACNA1HHPGDMAPTGAA
SCHEMBL4771453 0.79 ADORA3 (0.44) HPGDMAPTGAAALDH1A1HTT
SCHEMBL4771507 0.78 MAPT (0.36) CACNA1GCACNA1HHPGDMAPTGAA
SCHEMBL4767318 0.77 AR (0.34) ALDH1A1KDM4EL3MBTL1ARGNRHR
SCHEMBL4864154 0.77 HSP90AA1 (0.38) CACNA1GCACNA1HHPGDMAPTGAA
SCHEMBL4769303 0.76 KCNH2 (0.33) GAAALDH1A1NPSR1KDM4EL3MBTL1
SCHEMBL4762495 0.76 MAPT (0.49) HPGDMAPTGAAALDH1A1HTT
SCHEMBL4771332 0.75 KDM4E (0.36) MAPTALDH1A1KDM4EL3MBTL1SMN1; SMN2
SCHEMBL4770673 0.75 MAPK1 (0.34) MAPTGAAALDH1A1HTTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1678181-B1 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS INC (US) 2008-12-31 EP disclosed
US-7449473-B2 Substituted pyrrolo[3,2-d]pyrimidin-2,4-diones as A2b adenosine receptor antagonists CV THERAPEUTICS, INC. (US) 2008-11-11 US disclosed
US-20050119287-A1 A2B adenosine receptor antagonists GILEAD PALO ALTO, INC. 2005-06-02 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-20050119287-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA3 CACNA1G 4387/4885CACNA1H 4248/4885TAAR1 407/4885

“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.