SCHEMBL7073099

SCHEMBL7073099

COc1c(Br)cc(C(C)(C)C)c(OCc2ccccc2)c1O[SiH](C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
GAA P10253 4/20 0.40
MEN1 O00255 3/20 0.40
MAPT P10636 3/20 0.40
THRB P10828 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
BLM P54132 1/20 0.40
THRA P10827 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
HPGD P15428 2/20 0.38
MAOB P27338 1/20 0.37
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MGAM O43451 1/20 0.36
SI P14410 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
SCHEMBL1542211 0.79 THRB (0.43) KMT2AGAAMEN1MAPTTHRB
SCHEMBL5083962 0.75 THRB (0.46) KMT2AGAAMEN1MAPTTHRB
SCHEMBL6473455 0.75 THRB (0.46) KMT2AGAAMEN1MAPTTHRB
SCHEMBL7073846 0.73 FEN1 (0.36) GAAALDH1A1MAOBMGAMSI
SCHEMBL5365873 0.71 MAOA (0.46) KMT2AGAAMAPTTHRBALDH1A1
SCHEMBL12772154 0.70 FEN1 (0.45) KMT2AGAAMEN1MAPTTHRB
SCHEMBL17821822 0.70 MEN1 (0.52) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL27738669 0.70 MAPT (0.44) KMT2AGAAMEN1MAPTALDH1A1
SCHEMBL8862783 0.68 FEN1 (0.43) GAAMAPTTHRBTHRATDP1
SCHEMBL12370682 0.68 THRB (0.54) KMT2AGAAMEN1MAPTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030162765-A1 Use in treatment and prevention of central nervous system and other disorders PFIZER INC. 2003-08-28 US disclosed
US-20010007873-A1 Compounds such as 4-(6-amino-pyridin-2-yl)-3-methoxyphenol as nitric oxide synthase inhibitors used to treat central nervous system disorders, inflammatory disorders, septic shock, etc... PFIZER INC. 2001-07-12 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 (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-20010007873-A1 Compounds such as 4-(6-amino-pyridin-2-yl)-3-methoxyphenol as nitric oxide synthase inhibitors used to treat central nervous system disorders, inflammatory disorders, septic shock, etc... NOS1, PTGS1, NOS2 KMT2A 3062/4885GAA 2780/4885MEN1 3437/4885
US-20030162765-A1 Use in treatment and prevention of central nervous system and other disorders GRIN2C, GRIN2A, CNR2 KMT2A 1651/4885GAA 884/4885MEN1 988/4885

“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.