SCHEMBL1244066

SCHEMBL1244066

COC(=O)c1cc2oc(CN(C)C)cc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 1/20 0.39
CYP1A2 P05177 1/20 0.39
PSMB8 P28062 1/20 0.38
XDH P47989 3/20 0.37
ULK1 O75385 1/20 0.36
SMYD3 Q9H7B4 2/20 0.35
KMT2A Q03164 1/20 0.35
DAO P14920 1/20 0.34
LRP6 O75581 1/20 0.34
HTR2C P28335 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
BAZ2B Q9UIF8 1/20 0.33
BAZ2A Q9UIF9 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 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
SCHEMBL1242690 0.76 SMYD3 (0.53) CREBBPCYP1A2PSMB8XDHULK1
SCHEMBL7681740 0.76 CYP1A2 (0.45) CREBBPCYP1A2PSMB8XDHULK1
SCHEMBL13175415 0.71 LMNA (0.47) KMT2ATSHRHTTKDM4EGLA
SCHEMBL13175414 0.70 KDM4E (0.49) CYP1A2KMT2ADAOTSHRHTT
SCHEMBL13175413 0.70 DAO (0.44) CYP1A2SMYD3DAOKDM4E
SCHEMBL5440808 0.69 TP53 (0.46) CREBBPPSMB8XDHKMT2AHTT
SCHEMBL5453441 0.69 HDAC6 (0.54) CREBBPPSMB8XDHKMT2ACYP2D6
SCHEMBL4808608 0.68 CREBBP (0.56) CREBBPCYP1A2PSMB8XDHULK1
SCHEMBL989408 0.67 DAO (0.65) CREBBPCYP1A2PSMB8XDHULK1
Oxalic Acid SCHEMBL5444728 0.67 HDAC6 (0.51) CREBBPPSMB8XDHKMT2ACYP2D6

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-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
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
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

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 CREBBP 3936/4885CYP1A2 275/4885PSMB8 2360/4885
US-20080004327-A1 FLUORO-SUBSTITUTED INHIBITORS OF D-AMINO ACID OXIDASE DAO, DDO, AOX1 CREBBP 4730/4885CYP1A2 220/4885PSMB8 3824/4885

“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.