SCHEMBL1004641

SCHEMBL1004641

COC(=O)c1cc2c([nH]1)C(c1cccc(F)c1)CC2

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
PKM P14618 1/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
HCRTR1 O43613 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RIPK1 Q13546 1/20 0.38
PABPC1 P11940 2/20 0.38
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
NPC1 O15118 1/20 0.37
P2RX7 Q99572 1/20 0.37
OPRK1 P41145 1/20 0.37

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
SCHEMBL2074417 0.88 HCAR2 (0.39) ALDH1A1LMNAPKMKMT2AMEN1
SCHEMBL1003968 0.86 TSHR (0.44) ALDH1A1LMNAKMT2AMEN1MAPT
SCHEMBL1006816 0.86 SLC6A3 (0.44) ALDH1A1LMNAKMT2AMEN1L3MBTL1
SCHEMBL12952215 0.86 DDB1 (0.45) ALDH1A1
SCHEMBL2074454 0.83 CACNA1F (0.43) HCRTR1
SCHEMBL1003641 0.81 ALDH1A1 (0.43) ALDH1A1LMNAPKMKMT2AMEN1
SCHEMBL1003721 0.74 ALOX15 (0.39) ALDH1A1LMNAKMT2AMEN1L3MBTL1
SCHEMBL2076913 0.73 MEN1 (0.42) ALDH1A1KMT2AMEN1L3MBTL1MAPT
SCHEMBL1005339 0.73 LMNA (0.42) LMNAKMT2AMEN1CYP2C9
SCHEMBL1004534 0.71 ABCB1 (0.36) ALDH1A1LMNACYP2C19

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 8 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-7902252-B2 Inhibitors of D-amino acid oxidase SEPRACOR, INC. (US) 2011-03-08 US disclosed
US-7902252-B2 Inhibitors of D-amino acid oxidase SEPRACOR, INC. (US) 2011-03-08 US disclosed
WO-2011011330-A2 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2011-01-27 WO disclosed
WO-2011011330-A2 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2011-01-27 WO disclosed
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-02-04 US disclosed
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-02-04 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 ALDH1A1 465/4885LMNA 4552/4885PKM 1825/4885

“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.