SCHEMBL1004426

SCHEMBL1004426

O=C(O)c1cc2c([nH]1)C(c1ccc(-c3ccccc3)cc1)CC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.43
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
RHEB Q15382 1/20 0.39
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
MAPT P10636 1/20 0.36
DAO P14920 1/20 0.36
SRD5A2 P31213 1/20 0.36
P2RY14 Q15391 1/20 0.36
FFAR1 O14842 1/20 0.35
ALOX15 P16050 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NFKB1 P19838 1/20 0.35
BLM P54132 1/20 0.35
DHODH Q02127 1/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
TP53 P04637 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
SCHEMBL1003858 0.84 F7 (0.41) HCAR2RHEBKDM4EHPGDDAO
SCHEMBL2077036 0.84 PIN1 (0.41) HCAR2NPC1RAB9AKDM4EHPGD
SCHEMBL1003271 0.83 ALDH1A1 (0.45) NPC1RAB9AKDM4EHPGDMAPT
SCHEMBL1003507 0.80 PDGFRA (0.40) HCAR2NPC1RAB9ARHEBKDM4E
SCHEMBL1004534 0.80 ABCB1 (0.36) HCAR2RHEBKDM4EHPGDHSD17B10
SCHEMBL2074417 0.78 HCAR2 (0.39) HCAR2NPC1KDM4EHPGDHSD17B10
SCHEMBL2076913 0.78 MEN1 (0.42) HCAR2NPC1RAB9AKDM4EHPGD
SCHEMBL1005339 0.78 LMNA (0.42) HCAR2KDM4EHPGDBLMTP53
SCHEMBL2074473 0.77 CYP26A1 (0.53) RHEBDDB1CRBNMEN1KMT2A
SCHEMBL1004659 0.76 DRD2 (0.41) HCAR2PIN1KMT2AGRIN2B

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 6 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
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

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 HCAR2 2765/4885NPC1 4329/4885RAB9A 2295/4885

“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.