SCHEMBL3370696

SCHEMBL3370696

COC(=O)c1coc(-c2ccc(Oc3ccc(F)cc3)cc2)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.59
HDAC8 Q9BY41 7/20 0.59
HDAC6 Q9UBN7 7/20 0.59
PDE4B Q07343 4/20 0.49
FPR2 P25090 1/20 0.49
SCN9A Q15858 1/20 0.49
SCN10A Q9Y5Y9 1/20 0.47
MMP13 P45452 2/20 0.47
PDE4D Q08499 2/20 0.46
MAPT P10636 1/20 0.44
LMNA P02545 1/20 0.43
NPC1 O15118 1/20 0.42
CASP3 P42574 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 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
SCHEMBL2221957 0.93 HDAC1 (0.67) HDAC1HDAC8HDAC6PDE4BSCN10A
SCHEMBL2814069 0.85 HDAC1 (0.49) HDAC1HDAC8HDAC6PDE4BFPR2
SCHEMBL25002914 0.85 HDAC1 (0.74) HDAC1HDAC8HDAC6PDE4BSCN10A
SCHEMBL1385110 0.84 ALDH1A1 (0.60) HDAC1HDAC8HDAC6PDE4BFPR2
SCHEMBL21689281 0.80 HDAC1 (0.68) HDAC1HDAC8HDAC6PDE4BSCN10A
SCHEMBL31163941 0.79 HDAC1 (0.48) HDAC1HDAC8HDAC6PDE4BSCN10A
SCHEMBL17487352 0.79 HDAC1 (0.67) HDAC1HDAC8HDAC6PDE4BSCN10A
SCHEMBL21639144 0.79 HDAC1 (0.68) HDAC1HDAC8HDAC6PDE4BPDE4D
SCHEMBL27237310 0.79 HDAC1 (0.55) HDAC1HDAC8HDAC6PDE4BSCN10A
SCHEMBL2823348 0.79 HDAC1 (0.55) HDAC1HDAC8HDAC6PDE4BSCN10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2266960-B1 Aryl-substituted pyrazoles, imidazoles, oxazoles, thiazoles and pyrroles as anticonvulsants EURO CELTIQUE SA (LU) 2014-01-22 EP disclosed
EP-2266960-A2 Aryl-substituted pyrazoles, imidazoles, oxazoles, thiazoles and pyrroles as anticonvulsants EURO-CELTIQUE S.A. (LU) 2010-12-29 EP disclosed
EP-1173169-B1 ARYL SUBSTITUTED PYRAZOLES, IMIDAZOLES, OXAZOLES, THIAZOLES AND PYRROLES, AND THE USE THEREOF EURO CELTIQUE SA (LU) 2010-05-12 EP disclosed
EP-1173169-A4 ARYL SUBSTITUTED PYRAZOLES, IMIDAZOLES, OXAZOLES, THIAZOLES AND PYRROLES, AND THE USE THEREOF EURO CELTIQUE SA (LU) 2007-04-04 EP disclosed
US-6737418-B2 CENTRAL NERVOUS SYSTEM DISORDERS; ANTICONVULSANTS EURO-CELTIQUE S.A. (LU) 2004-05-18 US disclosed
US-20030069292-A1 Aryl substituted pyrazoles, imidazoles, oxazoles, thiazoles and pyrroles, and the use thereof EURO-CELTIQUE S.A. 2003-04-10 US disclosed
US-6414011-B1 CENTRAL NERVOUS SYSTEM DISORDERS EURO-CELTIQUE S.A. (LU) 2002-07-02 US disclosed
CN-1353605-A Aryl substituted pyrazoles, imidazoles, oxazoles, thiazoles and pyrroles, and use thereof EURO CELTIQUE SA (LU) 2002-06-12 CN disclosed
EP-1173169-A1 ARYL SUBSTITUTED PYRAZOLES, IMIDAZOLES, OXAZOLES, THIAZOLES AND PYRROLES, AND THE USE THEREOF Euro-Celtique S.A. (LU) 2002-01-23 EP disclosed
WO-2000057877-A1 ARYL SUBSTITUTED PYRAZOLES, IMIDAZOLES, OXAZOLES, THIAZOLES AND PYRROLES, AND THE USE THEREOF EURO-CELTIQUE S.A. (LU) 2000-10-05 WO 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-20030069292-A1 Aryl substituted pyrazoles, imidazoles, oxazoles, thiazoles and pyrroles, and the use thereof GRIK5, GRIN3A, GRIK3 HDAC1 127/4885HDAC8 1058/4885HDAC6 643/4885

“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.