SCHEMBL3586660

SCHEMBL3586660

C[C@H](Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 3/20 0.55
PDK1 Q15118 1/20 0.49
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
HSPB1 P04792 3/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPT P10636 2/20 0.47
CYP1A2 P05177 1/20 0.47
TSHR P16473 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
GPR35 Q9HC97 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
CRHBP P24387 1/20 0.44
CRHR2 Q13324 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
SCHEMBL7824974 1.00 TTR (0.55) TTRPDK1MEN1KMT2AHSPB1
SCHEMBL10535474 0.87 KMT2A (0.60) TTRMEN1KMT2AHSPB1ALDH1A1
SCHEMBL12992431 0.86 TTR (0.50) TTRPDK1MEN1KMT2AHSPB1
SCHEMBL2059439 0.85 TSHR (0.60) TTRMEN1KMT2AALDH1A1MAPT
SCHEMBL9780791 0.84 TSHR (0.62) PDK1MEN1KMT2AALDH1A1MAPT
SCHEMBL9780804 0.84 TSHR (0.62) PDK1MEN1KMT2AALDH1A1MAPT
SCHEMBL16823541 0.84 PDK1 (0.48) TTRPDK1MEN1KMT2AALDH1A1
SCHEMBL16823536 0.84 PDK1 (0.48) TTRPDK1MEN1KMT2AALDH1A1
SCHEMBL2293667 0.84 KMT2A (0.61) MEN1KMT2AALDH1A1MAPTCYP1A2
SCHEMBL2293668 0.84 KMT2A (0.61) MEN1KMT2AALDH1A1MAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1632477-B1 BENZAMIDE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2017-03-01 EP disclosed
US-7855198-B2 Benzamide derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2010-12-21 US disclosed
US-20090270365-A1 such as N-(2,4-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-(piperidin-1-ylmethyl)biphenyl-4-carboxamide, having vanilloid receptor 1 antagonistic activity, used as analgesics ASTELLAS PHARMA INC. (JP) 2009-10-29 US disclosed
US-7585878-B2 Benzamide derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2009-09-08 US disclosed
US-20070167444-A1 Benzamide derivative or salt thereof ASTELLAS PHARMA INC. 2007-07-19 US disclosed
EP-1632477-A1 BENZAMIDE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2006-03-08 EP 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 (2 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-20090270365-A1 such as N-(2,4-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-(piperidin-1-ylmethyl)biphenyl-4-carboxamide, having vanilloid receptor 1 antagonistic activity, used as analgesics TRPV1, TRPV2, TRPV3 TTR 4878/4885PDK1 4724/4885MEN1 2040/4885
US-20070167444-A1 Benzamide derivative or salt thereof TRPV1, BDKRB1, BDKRB2 TTR 4857/4885PDK1 4804/4885MEN1 1231/4885

“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.