SCHEMBL3890179

SCHEMBL3890179

O=C(O)c1cc(Oc2ccc(F)cc2)ccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
TTR P02766 1/20 0.56
PPOX P50336 1/20 0.56
HSPB1 P04792 2/20 0.53
DTYMK P23919 1/20 0.51
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
ATM Q13315 1/20 0.44
PYGL P06737 3/20 0.43
HPSE Q9Y251 1/20 0.43
XDH P47989 1/20 0.42
AKR1B10 O60218 1/20 0.42
AKR1B1 P15121 1/20 0.42
AKR1C4 P17516 1/20 0.42

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
SCHEMBL3889423 0.88 MEN1 (0.55) TDP1MEN1KMT2ATTRPPOX
SCHEMBL12789525 0.87 HSPB1 (0.51) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11282911 0.87 MEN1 (0.54) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10976077 0.87 MEN1 (0.61) TDP1MEN1KMT2ATTRPPOX
SCHEMBL3888921 0.85 TDP1 (0.60) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11272985 0.85 MEN1 (0.53) TDP1MEN1KMT2ATTRPPOX
SCHEMBL2424186 0.85 TDP1 (0.61) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11147168 0.85 MEN1 (0.72) TDP1MEN1KMT2ATTRPPOX
SCHEMBL9768812 0.85 MEN1 (0.72) TDP1MEN1KMT2ATTRPPOX
SCHEMBL7008104 0.84 MEN1 (0.52) TDP1MEN1KMT2ATTRPPOX

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
US-7572783-B2 Obesity; N-(1-benzyl-piperidin-4-yl)-2-(2,5-dioxo-7-phenoxy-1,2,3,5-tetrahydro-benzo[e][1,4]diazepin-4-yl)-3-methyl-butyramide; modulators of ghrelin receptor (GHSR) AMGEN INC. (US) 2009-08-11 US disclosed
US-7572783-B2 Obesity; N-(1-benzyl-piperidin-4-yl)-2-(2,5-dioxo-7-phenoxy-1,2,3,5-tetrahydro-benzo[e][1,4]diazepin-4-yl)-3-methyl-butyramide; modulators of ghrelin receptor (GHSR) AMGEN INC. (US) 2009-08-11 US disclosed
US-7572783-B2 Obesity; N-(1-benzyl-piperidin-4-yl)-2-(2,5-dioxo-7-phenoxy-1,2,3,5-tetrahydro-benzo[e][1,4]diazepin-4-yl)-3-methyl-butyramide; modulators of ghrelin receptor (GHSR) AMGEN INC. (US) 2009-08-11 US disclosed
EP-1784390-A2 SUBSTITUTED BENZOFUSED HETEROCYCLES Amgen Inc. (US) 2007-05-16 EP disclosed
US-20060199796-A1 Substituted benzofused heterocycles AMGEN INC. (US) 2006-09-07 US disclosed
WO-2006020959-A2 SUBSTITUTED BENZOFUSED HETEROCYCLES AMGEN INC. (US) 2006-02-23 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-20060199796-A1 Substituted benzofused heterocycles GPR119, SDHA, OGDH TDP1 3707/4885MEN1 1909/4885KMT2A 1172/4885

“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.