SCHEMBL10075879

SCHEMBL10075879

NCc1ccc(F)c(-c2ccc(O)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABAT P80404 1/20 0.52
BACE1 P56817 3/20 0.44
TAAR1 Q96RJ0 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
SLC6A2 P23975 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTR3A P46098 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KMT2A Q03164 2/20 0.42
BLM P54132 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ENPP2 Q13822 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
USP7 Q93009 1/20 0.39
CSNK2A1 P68400 2/20 0.39
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL16343572 0.81 CSNK2A1 (0.58) BACE1TAAR1HRH3CSNK2A1LOXL2
SCHEMBL16894251 0.79 MAOB (0.53) TAAR1
SCHEMBL7945771 0.79 PARP1 (0.47) TAAR1CSNK2A1CYP3A4LOXL2
SCHEMBL1362274 0.77 TAAR1 (0.44) BACE1TAAR1ENPP2CSNK2A1
SCHEMBL27567624 0.76 TAAR1 (0.42) BACE1TAAR1HRH3LOXL2
SCHEMBL999725 0.76 FFAR4 (0.49) BACE1
SCHEMBL12953155 0.76 MAP4K4 (0.47) ALDH1A1USP7CYP3A4MAPTSMN1; SMN2
SCHEMBL18664450 0.75 CSNK2A1 (0.69) ABATTAAR1ENPP2USP7CSNK2A1
SCHEMBL2571691 0.74 ABAT (0.84) ABATBACE1TAAR1ALDH1A1KDM4E
SCHEMBL27928527 0.74 ESR1 (0.57) CYP2C19USP7CYP3A4RPS6KA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120116095-A1 GLYCINE TRANSPORTER INHIBITORS TAISHO PHARMACEUTICAL C0., LTD. (JP) 2012-05-10 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 (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-20120116095-A1 GLYCINE TRANSPORTER INHIBITORS SLC6A5, SLC1A2, SLC18A2 ABAT 221/4885BACE1 150/4885TAAR1 240/4885

“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.