SCHEMBL10247325

SCHEMBL10247325

[C-]#[N+]c1cc(OC2CCc3cc(C(=O)OC)ccc3C2)ccn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 8/20 0.36
EPHX2 P34913 1/20 0.35
IP6K1 Q92551 1/20 0.35
GSK3B P49841 1/20 0.35
KDM4E B2RXH2 1/20 0.34
KDM6B O15054 1/20 0.34
KDM5C P41229 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
KDM2A Q9Y2K7 1/20 0.34
KDM3A Q9Y4C1 1/20 0.34
HSD11B1 P28845 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
DYRK1A Q13627 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33

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) FAAHEPHX2GSK3BKDM4EKDM6B
SCHEMBL356071 0.85 IP6K1 (0.38) FAAHEPHX2IP6K1GSK3BKDM4E
SCHEMBL356033 0.84 KDM4E (0.40) FAAHEPHX2GSK3BKDM4EKDM6B
SCHEMBL355828 0.83 CYP19A1 (0.40) FAAHEPHX2MEN1KMT2ACYP1A2
SCHEMBL10258819 0.83 KDM4E (0.40) FAAHEPHX2GSK3BKDM4EKDM6B
SCHEMBL355087 0.82 FAAH (0.38) FAAHEPHX2GSK3BKMT2AATM
SCHEMBL356119 0.80 KDM4E (0.39) FAAHEPHX2GSK3BKDM4EATM
SCHEMBL10247293 0.76 SYK (0.38) EPHX2IP6K1GSK3BMEN1KMT2A
SCHEMBL353385 0.75 SYK (0.34) EPHX2IP6K1GSK3BDYRK1A
Hydrochloric Acid SCHEMBL355233 0.74 SYK (0.34) EPHX2IP6K1GSK3BDYRK1A

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 2 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-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 2004/4885EPHX2 1524/4885IP6K1 4021/4885
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 FAAH 704/4885EPHX2 473/4885IP6K1 4018/4885

“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.