SCHEMBL2074484

SCHEMBL2074484

CCOC(=O)c1cc2c([nH]1)CCCC2Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 3/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 2/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
ATM Q13315 1/20 0.42
TP53 P04637 1/20 0.41
BCHE P06276 1/20 0.39
MAOA P21397 1/20 0.39
ACHE P22303 1/20 0.39
MAOB P27338 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TRPC5 Q9UL62 1/20 0.39

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
SCHEMBL1004812 0.89 ALDH1A1 (0.39) NPC1KMT2AMEN1ALDH1A1LMNA
SCHEMBL1004094 0.85 KDR (0.41) KMT2AKDM4EALDH1A1HPGDMAPT
SCHEMBL1004824 0.81 ALDH1A1 (0.41) NPC1KMT2AKDM4EMEN1ALDH1A1
SCHEMBL13562325 0.78 ALDH1A1 (0.41) RAB9ANPC1KMT2AKDM4EMEN1
SCHEMBL1005338 0.78 RAB9A (0.44) RAB9ANPC1KMT2AKDM4EMEN1
SCHEMBL13637233 0.78 ESR1 (0.40) KDR
SCHEMBL1003853 0.77 DDB1 (0.44) KDM4EALDH1A1HPGDMAPTL3MBTL1
SCHEMBL12777445 0.77 DDB1 (0.44) KDM4EALDH1A1HPGDMAPTL3MBTL1
SCHEMBL1004866 0.76 CYP26A1 (0.42) KMT2AMEN1ALDH1A1SMN1; SMN2LMNA
SCHEMBL1004070 0.74 MMP2 (0.42) KDM4EALDH1A1GAAATMSLC6A3

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 3 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-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 RAB9A 2295/4885NPC1 4329/4885KMT2A 1372/4885
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE RAB9A 2295/4885NPC1 4329/4885KMT2A 1372/4885

“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.