SCHEMBL355087

SCHEMBL355087

COC(=O)c1ccc2c(c1)CCC(Oc1ccnc(C#N)c1)C2

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FAAH O00519 9/20 0.38
NOS1 P29475 2/20 0.37
NOS2 P35228 2/20 0.37
EPHX2 P34913 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
ACHE P22303 1/20 0.37
ATM Q13315 1/20 0.36
TBK1 Q9UHD2 1/20 0.35
GSK3B P49841 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL355819 0.85 FAAH (0.38) FAAHEPHX2GSK3BKMT2A
SCHEMBL356071 0.85 IP6K1 (0.38) FAAHEPHX2GSK3BKMT2A
SCHEMBL356033 0.84 KDM4E (0.40) FAAHEPHX2GSK3B
SCHEMBL355828 0.83 CYP19A1 (0.40) FAAHEPHX2CA1CA2ACHE
SCHEMBL10258819 0.83 KDM4E (0.40) FAAHEPHX2ATMGSK3BKMT2A
SCHEMBL10247325 0.82 FAAH (0.36) FAAHEPHX2ATMGSK3BKMT2A
SCHEMBL356119 0.80 KDM4E (0.39) FAAHEPHX2ATMGSK3B
SCHEMBL10247293 0.76 SYK (0.38) EPHX2ATMGSK3BKMT2A
SCHEMBL353385 0.75 SYK (0.34) EPHX2GSK3B
Hydrochloric Acid SCHEMBL355233 0.74 SYK (0.34) EPHX2GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
WO-2012012322-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
WO-2012012322-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
US-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACUTICALS, INC. (US) 2012-01-19 US disclosed
US-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACUTICALS, INC. (US) 2012-01-19 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-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 FAAH 2004/4885NOS1 997/4885NOS2 451/4885
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 FAAH 704/4885NOS1 636/4885NOS2 388/4885

“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.