SCHEMBL4765579

SCHEMBL4765579

Cc1c([N+](=O)[O-])c(=O)n(C(C)c2ccccc2)c(=O)n1CC(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 3/20 0.44
DCTPP1 Q9H773 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.38
HSD17B10 Q99714 2/20 0.38
TSHR P16473 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 8/20 0.37
NPSR1 Q6W5P4 3/20 0.37
POLB P06746 1/20 0.37
LMNA P02545 4/20 0.36
KDM4E B2RXH2 3/20 0.36
MEN1 O00255 1/20 0.36
CASP1 P29466 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 4/20 0.36
HPGD P15428 2/20 0.36
NPC1 O15118 1/20 0.36
MITF O75030 1/20 0.36
AGTR1 P30556 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
SCHEMBL4762644 0.84 DCTPP1 (0.49) GNRHRDCTPP1HSD17B10TSHRTDP1
SCHEMBL4771445 0.84 GNRHR (0.45) GNRHRDCTPP1HSD17B10L3MBTL1ALDH1A1
SCHEMBL4762494 0.82 DCTPP1 (0.47) DCTPP1SMN1; SMN2HSD17B10L3MBTL1ALDH1A1
SCHEMBL4863582 0.79 DCTPP1 (0.37) DCTPP1SMN1; SMN2ALDH1A1NPSR1MEN1
SCHEMBL4770944 0.78 ADORA2A (0.39) GNRHRSMN1; SMN2HSD17B10TSHRTDP1
SCHEMBL4868133 0.77 HSP90AA1 (0.43) DCTPP1SMN1; SMN2HSD17B10TSHRALDH1A1
SCHEMBL4765585 0.77 MAPT (0.44) GNRHRALDH1A1NPSR1LMNAMEN1
SCHEMBL4768010 0.75 MITF (0.36) DCTPP1SMN1; SMN2ALDH1A1NPSR1POLB
SCHEMBL4769402 0.75 POLB (0.43) GNRHRHSD17B10ALDH1A1POLBLMNA
SCHEMBL4762282 0.74 PDE1A (0.47) SMN1; SMN2TSHRALDH1A1NPSR1POLB

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 GNRHR 1042/4885DCTPP1 3735/4885SMN1; SMN2 3995/4885

“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.