SCHEMBL3397211

SCHEMBL3397211

C[C@H](CCCCOC(=O)c1ccc([N+](=O)[O-])cc1)O[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.52
ATM Q13315 1/20 0.52
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
ADRB2 P07550 2/20 0.50
ADRB1 P08588 2/20 0.50
ADRB3 P13945 2/20 0.50
MAPT P10636 5/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA9 Q16790 1/20 0.46
PKM P14618 1/20 0.46
ALDH1A1 P00352 3/20 0.46
BCHE P06276 2/20 0.45
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44

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
SCHEMBL3404719 1.00 L3MBTL1 (0.52) L3MBTL1ATMMEN1KMT2AADRB2
SCHEMBL18725893 0.99 L3MBTL1 (0.51) L3MBTL1ATMMEN1KMT2AADRB2
SCHEMBL3651319 0.91 ATM (0.55) L3MBTL1ATMMEN1KMT2AADRB2
SCHEMBL16179053 0.87 L3MBTL1 (0.49) L3MBTL1ATMMEN1KMT2AADRB2
SCHEMBL16179052 0.87 L3MBTL1 (0.49) L3MBTL1ATMMEN1KMT2AADRB2
SCHEMBL3404716 0.86 ADRB2 (0.56) L3MBTL1ATMMEN1KMT2AADRB2
SCHEMBL3404710 0.86 ADRB2 (0.56) L3MBTL1ATMMEN1KMT2AADRB2
SCHEMBL28454936 0.86 L3MBTL1 (0.55) L3MBTL1ATMMEN1KMT2AADRB2
SCHEMBL18726389 0.85 ADRB2 (0.55) L3MBTL1ATMMEN1KMT2AADRB2
SCHEMBL18725919 0.85 ADRB2 (0.55) L3MBTL1ATMMEN1KMT2AADRB2

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
US-20100311800-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS NICOX S.A. (FR) 2010-12-09 US disclosed
EP-2250158-A2 ANGIOTENSIN II RECEPTOR ANTAGONISTS Nicox S.A. (FR) 2010-11-17 EP disclosed
WO-2009106470-A2 ANGIOTENSIN II RECEPTOR ANTAGONISTS NICOX S.A. (FR) 2009-09-03 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-20100311800-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS AGTR2, AGTR1, AGT L3MBTL1 4653/4885ATM 4100/4885MEN1 4486/4885

“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.