SCHEMBL4772764

SCHEMBL4772764

CCn1c(C)c([N+](=O)[O-])c(=O)[nH]c1=O.c1cc2cc-2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 4/20 0.41
MAPT P10636 3/20 0.41
KMT2A Q03164 4/20 0.41
TDP1 Q9NUW8 3/20 0.41
MEN1 O00255 3/20 0.41
ALDH1A1 P00352 6/20 0.41
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.40
RECQL P46063 1/20 0.40
HTT P42858 3/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
MPI P34949 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
NPC1 O15118 1/20 0.38
MITF O75030 1/20 0.38
AGTR1 P30556 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL5264950 0.76 SMN1; SMN2 (0.44) MAPTKMT2ATDP1MEN1ALDH1A1
SCHEMBL4762497 0.74 ALDH1A1 (0.43) PGRMAPTKMT2ATDP1ALDH1A1
SCHEMBL4770765 0.73 PGR (0.48) PGRMAPTKMT2AMEN1ALDH1A1
SCHEMBL4765596 0.73 ALDH1A1 (0.40) PGRMAPTKMT2ATDP1ALDH1A1
SCHEMBL9255959 0.71 LMNA (0.43) MAPTKMT2ATDP1MEN1ALDH1A1
SCHEMBL19013541 0.71 MAPT (0.56) MAPTKMT2ATDP1MEN1ALDH1A1
SCHEMBL4771460 0.71 PARG (0.39) MAPTKMT2AALDH1A1LMNAGAA
SCHEMBL17493237 0.67 PKM (0.42) PGRMAPTTDP1ALDH1A1LMNA
SCHEMBL4769800 0.66 ALDH1A1 (0.42) MAPTKMT2ATDP1MEN1ALDH1A1
SCHEMBL17433951 0.65 KMT2A (0.60) MAPTKMT2ATDP1MEN1LMNA

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 PGR 1236/4885MAPT 4503/4885KMT2A 1806/4885

“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.