SCHEMBL2076158

SCHEMBL2076158

COC(=O)c1cc2c([nH]1)CC/C2=C/c1ccc(Cl)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
SLC6A3 Q01959 7/20 0.38
SLC6A2 P23975 4/20 0.38
ALPL P05186 2/20 0.36
SLC6A4 P31645 2/20 0.35
IGF1R P08069 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
PYGL P06737 1/20 0.34
HDAC1 Q13547 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
MAPK1 P28482 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL2076165 1.00 MAOA (0.42) MAOAMAOBSLC6A3SLC6A2ALPL
SCHEMBL2076160 1.00 MAOA (0.42) MAOAMAOBSLC6A3SLC6A2ALPL
SCHEMBL2074466 0.90 ALPL (0.38) MAOAMAOBALPLMEN1KMT2A
SCHEMBL2074470 0.90 ALPL (0.38) MAOAMAOBALPLMEN1KMT2A
SCHEMBL2074468 0.90 ALPL (0.38) MAOAMAOBALPLMEN1KMT2A
SCHEMBL1004163 0.88 EGFR (0.40) MAOAMAOBSLC6A3SLC6A2ALPL
SCHEMBL1004165 0.88 EGFR (0.40) MAOAMAOBSLC6A3SLC6A2ALPL
SCHEMBL2074532 0.85 MAPT (0.36) ALPLMEN1KMT2ACYP1A2CYP3A4
SCHEMBL2074533 0.85 MAPT (0.36) ALPLMEN1KMT2ACYP1A2CYP3A4
SCHEMBL2074531 0.85 MAPT (0.36) ALPLMEN1KMT2ACYP1A2CYP3A4

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-7902252-B2 Inhibitors of D-amino acid oxidase SEPRACOR, INC. (US) 2011-03-08 US disclosed
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-02-04 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-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE MAOA 15/4885MAOB 18/4885SLC6A3 224/4885

“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.