SCHEMBL5763685

SCHEMBL5763685

COc1cccc2c1C=C([N+](=O)[O-])CO2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.49
ALDH1A1 P00352 4/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 3/20 0.38
KDM4E B2RXH2 2/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
PRMT1 Q99873 1/20 0.38
KMT2A Q03164 5/20 0.37
MEN1 O00255 4/20 0.37
CYP3A4 P08684 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAOB P27338 1/20 0.37
MIF P14174 1/20 0.36
AR P10275 2/20 0.36
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
CTNNB1 P35222 1/20 0.35

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
SCHEMBL28757981 0.81 ALDH1A1 (0.42) ALDH1A1TDP1MAPTHSD17B10L3MBTL1
SCHEMBL19313431 0.78 HNF4A (0.41) NR1H4ALDH1A1TDP1MAPTKDM4E
SCHEMBL31561657 0.77 KMT2A (0.54) NR1H4ALDH1A1TDP1MAPTL3MBTL1
SCHEMBL28907308 0.77 KMT2A (0.54) NR1H4ALDH1A1TDP1MAPTL3MBTL1
SCHEMBL5763911 0.75 NR1H4 (0.62) NR1H4MAPTKDM4ECASP1CASP7
SCHEMBL25090471 0.75 NR1H4 (0.49) NR1H4MAPTKDM4ECASP1CASP7
SCHEMBL20554718 0.72 NR1H4 (0.50) NR1H4MAPTKDM4ECASP1CASP7
SCHEMBL19313390 0.72 HNF4A (0.50) ALDH1A1TDP1MAPTKDM4EL3MBTL1
SCHEMBL19313482 0.71 DPP4 (0.40) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL19313273 0.71 DPP4 (0.41) ALDH1A1MAPTKDM4ECASP1CASP7

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-1651637-A1 3-AMINO CHROMAN AND 2-AMINO TETRALIN DERIVATIVES Wyeth (US) 2006-05-03 EP disclosed
US-20050032873-A1 3-Amino chroman and 2-amino tetralin derivatives WYETH (US) 2005-02-10 US disclosed
WO-2005012291-A1 3-AMINO CHOMAN AND 2-AMINO TETRALIN DERIVATIVES WYETH (US) 2005-02-10 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-20050032873-A1 3-Amino chroman and 2-amino tetralin derivatives TPH2, HTR2C, HTR7 NR1H4 3926/4885ALDH1A1 3377/4885TDP1 318/4885

“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.