SCHEMBL1244069

SCHEMBL1244069

OCc1cccn1Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ADRA1D P25100 1/20 0.46
TSHR P16473 1/20 0.44
POLB P06746 3/20 0.44
LMNA P02545 2/20 0.44
BRD4 O60885 2/20 0.44
BRD2 P25440 1/20 0.44
BRD3 Q15059 1/20 0.44
BRDT Q58F21 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 2/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
NOTUM Q6P988 1/20 0.42

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
SCHEMBL27700003 0.82 ALDH1A1 (0.50) HDAC8HDAC6ALDH1A1KDM4EL3MBTL1
SCHEMBL27944822 0.82 ALDH1A1 (0.50) HDAC8HDAC6ALDH1A1KDM4EL3MBTL1
SCHEMBL8217059 0.80 HDAC8 (0.49) HDAC8HDAC6ALDH1A1KDM4EL3MBTL1
SCHEMBL28191937 0.80 HDAC8 (0.49) HDAC8HDAC6ALDH1A1KDM4EL3MBTL1
SCHEMBL3195611 0.80 HDAC8 (0.49) HDAC8HDAC6ALDH1A1KDM4EL3MBTL1
SCHEMBL12951910 0.79 AKR1B1 (0.50) HDAC8HDAC6ALDH1A1KDM4EL3MBTL1
SCHEMBL7530197 0.77 ADRA1D (0.55) HDAC8HDAC6ALDH1A1KDM4EADRA1D
SCHEMBL27545918 0.77 HDAC8 (0.50) HDAC8HDAC6ALDH1A1KDM4EL3MBTL1
SCHEMBL3269183 0.76
SCHEMBL7674447 0.76 HDAC8 (0.45) HDAC8HDAC6ALDH1A1KDM4EL3MBTL1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1812970-A Process for producing nitrogenous heterocyclic compound TORAY FINECHEMICALS CO LTD (JP) 2006-08-02 CN claimed
US-7884124-B2 such as 2-Fluoro-4H-furo[3,2-b]pyrrole-5-carboxylate acid, used for the treatment of neuropathic pain, Alzheimer's disease, schizophrenia, ataxia and convulsions SEPRACOR INC. (US) 2011-02-08 US disclosed
US-7884124-B2 such as 2-Fluoro-4H-furo[3,2-b]pyrrole-5-carboxylate acid, used for the treatment of neuropathic pain, Alzheimer's disease, schizophrenia, ataxia and convulsions SEPRACOR INC. (US) 2011-02-08 US disclosed
US-7884124-B2 such as 2-Fluoro-4H-furo[3,2-b]pyrrole-5-carboxylate acid, used for the treatment of neuropathic pain, Alzheimer's disease, schizophrenia, ataxia and convulsions SEPRACOR INC. (US) 2011-02-08 US disclosed
CN-101511832-A Fused heterocyclic inhibitors of D-amino acid oxidase SEPRACOR INC (US) 2009-08-19 CN disclosed
EP-2057162-A2 FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE Sepracor Inc. (US) 2009-05-13 EP disclosed
US-20080058395-A1 Fused heterocyclic inhibitors of D-amino acid oxidase SEPRACOR INC. (US) 2008-03-06 US disclosed
US-20080058395-A1 Fused heterocyclic inhibitors of D-amino acid oxidase SEPRACOR INC. (US) 2008-03-06 US disclosed
US-20080058395-A1 Fused heterocyclic inhibitors of D-amino acid oxidase SEPRACOR INC. (US) 2008-03-06 US disclosed
WO-2008005456-A2 FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2008-01-10 WO disclosed
US-20080004327-A1 FLUORO-SUBSTITUTED INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2008-01-03 US disclosed
US-20080004327-A1 FLUORO-SUBSTITUTED INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2008-01-03 US disclosed
US-20080004327-A1 FLUORO-SUBSTITUTED INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2008-01-03 US disclosed
CN-1812970-A Process for producing nitrogenous heterocyclic compound TORAY FINECHEMICALS CO LTD (JP) 2006-08-02 CN 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-20080058395-A1 Fused heterocyclic inhibitors of D-amino acid oxidase DAO, DDO, AOX1 HDAC8 3619/4885HDAC6 3092/4885ALDH1A1 866/4885
US-20080004327-A1 FLUORO-SUBSTITUTED INHIBITORS OF D-AMINO ACID OXIDASE DAO, DDO, AOX1 HDAC8 4441/4885HDAC6 3595/4885ALDH1A1 622/4885

“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.