SCHEMBL434259

SCHEMBL434259

CC1(C(=O)Nc2cccc(-c3ccc4c(c3)CCC(C(=O)NO)C4)c2)CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.39
DGAT1 O75907 1/20 0.39
GRIA2 P42262 1/20 0.38
FAAH O00519 4/20 0.37
GHSR Q92847 1/20 0.37
KHK P50053 1/20 0.36
TP53BP1 Q12888 1/20 0.36
HDAC1 Q13547 1/20 0.36
PARP1 P09874 1/20 0.36
PARP15 Q460N3 1/20 0.36
PARP10 Q53GL7 1/20 0.36
AAK1 Q2M2I8 1/20 0.36
MCHR1 Q99705 2/20 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
SCHEMBL460073 0.90 HDAC1 (0.41) DGAT1GRIA2FAAHGHSRHDAC1
SCHEMBL345716 0.89 KHK (0.40) GHSRKHKHDAC1MCHR1
SCHEMBL346787 0.85 GRIA2 (0.40) DGAT1GRIA2FAAHGHSRTP53BP1
SCHEMBL346598 0.85 KHK (0.40) GHSRKHKHDAC1
SCHEMBL436178 0.85 FAAH (0.35) FAAHGHSRHDAC1
SCHEMBL346196 0.84 GSK3B (0.46) FAAH
SCHEMBL438630 0.83 GRIA2 (0.53) DGAT1GRIA2FAAHGHSRHDAC1
SCHEMBL346082 0.83 MMP3 (0.40) F10FAAH
SCHEMBL10197813 0.82 DRD2 (0.39) GRIA2GHSRTP53BP1MCHR1
SCHEMBL436179 0.81 GRIA2 (0.35) GRIA2FAAHGHSRHDAC1AAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
WO-2012012320-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
WO-2012012320-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, 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-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 F10 2340/4885DGAT1 4017/4885GRIA2 237/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 F10 1728/4885DGAT1 3888/4885GRIA2 674/4885

“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.