SCHEMBL1603814

SCHEMBL1603814

OCCn1nc(Cc2ccc(F)cc2)cc1-c1ccncc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 5/20 0.54
HDAC6 Q9UBN7 4/20 0.47
HDAC3 O15379 3/20 0.42
HDAC4 P56524 3/20 0.42
HDAC1 Q13547 3/20 0.42
HDAC7 Q8WUI4 3/20 0.42
HDAC2 Q92769 3/20 0.42
HDAC10 Q969S8 3/20 0.42
HDAC11 Q96DB2 3/20 0.42
HDAC8 Q9BY41 3/20 0.42
HDAC9 Q9UKV0 3/20 0.42
HDAC5 Q9UQL6 3/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPK14 Q16539 6/20 0.41
CSNK1D P48730 3/20 0.41
MAPK13 O15264 1/20 0.41
CSNK1E P49674 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41

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
SCHEMBL1602892 0.78 HDAC3 (0.47) FYNHDAC6HDAC3HDAC4HDAC1
SCHEMBL3489559 0.75 HDAC3 (0.54) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL1602686 0.71 HDAC3 (0.46) FYNHDAC6HDAC3HDAC4HDAC1
SCHEMBL18613508 0.70 FYN (1.00) FYN
SCHEMBL6076416 0.69 MAPK14 (0.51) MAPK14CSNK1DMAPK13CSNK1EMAPK12
SCHEMBL27637349 0.69 NR3C2 (0.52) MEN1KMT2A
SCHEMBL1601973 0.68 HDAC6 (0.47) FYNHDAC6HDAC3HDAC4HDAC1
SCHEMBL17259238 0.67 HDAC6 (0.45) FYNHDAC6HDAC3HDAC4HDAC1
SCHEMBL3489229 0.67 HDAC6 (0.53) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL3489166 0.66 MAPK14 (0.42) HDAC6HDAC3HDAC4HDAC1HDAC7

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
US-7919488-B2 Therapeutic compounds PFIZER INC. (US) 2011-04-05 US disclosed
US-7919488-B2 Therapeutic compounds PFIZER INC. (US) 2011-04-05 US disclosed
US-7919488-B2 Therapeutic compounds PFIZER INC. (US) 2011-04-05 US disclosed
CN-101511812-A Pyrazole derivatives as cytochrome P450 inhibitors PFIZER PROD INC (US) 2009-08-19 CN disclosed
EP-2046774-A1 PYRAZOLE DERIVATIVES AS CYTOCHROME P450 INHIBITORS Pfizer Products Inc. (US) 2009-04-15 EP disclosed
US-20080021011-A1 THERAPEUTIC COMPOUNDS PFIZER INC 2008-01-24 US disclosed
US-20080021011-A1 THERAPEUTIC COMPOUNDS PFIZER INC 2008-01-24 US disclosed
US-20080021011-A1 THERAPEUTIC COMPOUNDS PFIZER INC 2008-01-24 US disclosed
WO-2008004096-A1 PYRAZOLE DERIVATIVES AS CYTOCHROME P450 INHIBITORS PFIZER PRODUCTS INC. (US) 2008-01-10 WO disclosed
WO-2008004096-A1 PYRAZOLE DERIVATIVES AS CYTOCHROME P450 INHIBITORS PFIZER PRODUCTS INC. (US) 2008-01-10 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-20080021011-A1 THERAPEUTIC COMPOUNDS SLC10A1, PCSK9, CFTR FYN 1864/4885HDAC6 32/4885HDAC3 219/4885

“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.