Sugi Predict

Sugi Predict / Compounds / SCHEMBL1004655

SCHEMBL1004655

SCHEMBL1004655

COC(=O)c1cc2c([nH]1)CCC2Cc1ccc(F)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ ATM Q13315 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ESR1 P03372 4/20 0.35
▸ ESR2 Q92731 4/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ MMP1 P03956 1/20 0.35
▸ MMP2 P08253 1/20 0.35
▸ MMP9 P14780 1/20 0.35
▸ MMP12 P39900 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CYP2C9 P11712 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
SCHEMBL12844881 0.89 MAPT (0.38) RAB9APOLBL3MBTL1ESR1ESR2
SCHEMBL1003927 0.89 PTGS1 (0.35) RAB9AATMMEN1KMT2AMAPT
SCHEMBL1004177 0.88 MAPT (0.38) SLC6A3ESR1ESR2MMP1MMP2
SCHEMBL1004000 0.88 SMN1; SMN2 (0.36) POLBSLC6A3L3MBTL1ESR1ESR2
SCHEMBL1004824 0.88 ALDH1A1 (0.41) NPC1MAPK1MEN1KMT2AMMP2
SCHEMBL2074424 0.88 MMP1 (0.41) ATML3MBTL1ESR1ESR2MEN1
SCHEMBL1005435 0.86 ALPL (0.40) SLC6A4SLC6A3ATMMEN1KMT2A
SCHEMBL1007332 0.86 PTGS1 (0.37) NPC1RAB9AESR1ESR2MEN1
SCHEMBL1004866 0.86 CYP26A1 (0.42) SLC6A4SLC6A3L3MBTL1MEN1KMT2A
SCHEMBL1002765 0.86 MEN1 (0.36) SLC6A4SLC6A3MEN1KMT2AMAPT

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 9 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
US-20090099248-A1 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2009-04-16 — — 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-20090099248-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE NPC1 4329/4885RAB9A 2295/4885POLB 997/4885
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE NPC1 4329/4885RAB9A 2295/4885POLB 997/4885

“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.