Sugi Predict

Sugi Predict / Compounds / SCHEMBL1004097

SCHEMBL1004097

SCHEMBL1004097

O=C(O)c1cc2c([nH]1)/C(=C/c1ccccc1)CC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.46
▸ MAOB P27338 6/20 0.46
▸ MIF P14174 5/20 0.46
▸ MAPT P10636 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ F3 P13726 1/20 0.40
▸ CYP26A1 O43174 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ DAO P14920 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ SRD5A2 P31213 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ MGAM O43451 2/20 0.38
▸ GAA P10253 2/20 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
SCHEMBL1054865 1.00 CYP1A2 (0.46) CYP1A2MAOBMIFMAPTALDH1A1
SCHEMBL1004098 1.00 CYP1A2 (0.46) CYP1A2MAOBMIFMAPTALDH1A1
SCHEMBL1005746 0.85 MIF (0.45) CYP1A2MAOBMIFMAPTALDH1A1
SCHEMBL1005747 0.85 MIF (0.45) CYP1A2MAOBMIFMAPTALDH1A1
SCHEMBL1004890 0.82 ALDH1A1 (0.46) MAOBMIFMAPTALDH1A1RAB9A
SCHEMBL1004891 0.82 ALDH1A1 (0.46) MAOBMIFMAPTALDH1A1RAB9A
SCHEMBL1005239 0.78 SRD5A2 (0.36) CYP1A2MAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL1005240 0.78 SRD5A2 (0.36) CYP1A2MAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL1003891 0.77 HPGD (0.35) CYP1A2MAOBMIFMAPTALDH1A1
SCHEMBL1003890 0.77 HPGD (0.35) CYP1A2MAOBMIFMAPTALDH1A1

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 CYP1A2 2041/4885MAOB 18/4885MIF 4580/4885
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE CYP1A2 2041/4885MAOB 18/4885MIF 4580/4885

“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.