Sugi Predict

Sugi Predict / Compounds / SCHEMBL1003669

SCHEMBL1003669

SCHEMBL1003669

COC(=O)c1cc2c([nH]1)CCC2CC1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ HSD17B10 Q99714 3/20 0.36
▸ MAPT P10636 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ KMT2A Q03164 5/20 0.35
▸ MEN1 O00255 4/20 0.35
▸ TDP1 Q9NUW8 2/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ SENP7 Q9BQF6 1/20 0.33
▸ SENP6 Q9GZR1 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ PPM1D O15297 1/20 0.32
▸ GABRA1 P14867 1/20 0.32
▸ GABRG2 P18507 1/20 0.32
▸ GABRB3 P28472 1/20 0.32

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
SCHEMBL1005565 0.84 RAB9A (0.38) KDM4ESMN1; SMN2L3MBTL1EPHX2
SCHEMBL1005096 0.81 CYP1A2 (0.36) CYP1A2KMT2AMEN1MAPK1
SCHEMBL1002764 0.81 CYP1A2 (0.38) CYP1A2KMT2AMEN1
SCHEMBL1002588 0.81 XDH (0.39) ALDH1A1KDM4EHSD17B10MAPTTSHR
SCHEMBL1002831 0.77 XDH (0.38) ALDH1A1KDM4EMAPTCYP1A2KMT2A
SCHEMBL1004824 0.77 ALDH1A1 (0.41) ALDH1A1KDM4EKMT2AMEN1MAPK1
SCHEMBL12844881 0.76 MAPT (0.38) ALDH1A1MAPTCYP1A2KMT2AMEN1
SCHEMBL1004723 0.76 CYP1A2 (0.42) ALDH1A1KDM4EHSD17B10MAPTCYP1A2
SCHEMBL1004177 0.75 MAPT (0.38) ALDH1A1KDM4EMAPT
SCHEMBL1004655 0.75 NPC1 (0.37) MAPTTSHRCYP1A2KMT2AMEN1

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 ALDH1A1 465/4885KDM4E 1859/4885HSD17B10 1605/4885
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE ALDH1A1 465/4885KDM4E 1859/4885HSD17B10 1605/4885

“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.