SCHEMBL461276

SCHEMBL461276

O=C(NO)C1CCc2ccc(-c3ccc(OCc4ccccc4)cc3)cc2C1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
FAAH O00519 11/20 0.52
HDAC4 P56524 1/20 0.49
SMPD1 P17405 1/20 0.47
MCL1 Q07820 1/20 0.46
F10 P00742 1/20 0.45
MMP13 P45452 1/20 0.45

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
SCHEMBL461680 0.92 HDAC4 (0.58) CA1CA2FAAHHDAC4SMPD1
SCHEMBL10197642 0.91 FAAH (0.58) FAAH
SCHEMBL436441 0.85 FAAH (0.52) FAAHSMPD1
SCHEMBL10260016 0.85 FAAH (0.51) FAAHHDAC4
SCHEMBL459845 0.83 FAAH (0.49) FAAHHDAC4
SCHEMBL459626 0.82 MTNR1A (0.50) CA1CA2FAAHMMP13
SCHEMBL346775 0.81 FAAH (0.51) FAAH
SCHEMBL437694 0.79 GSK3B (0.47) FAAHHDAC4
SCHEMBL345723 0.79 FAAH (0.53) FAAHHDAC4F10
SCHEMBL9022793 0.78 FAAH (0.63) FAAH

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 CA1 400/4885CA2 413/4885FAAH 1791/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 CA1 844/4885CA2 826/4885FAAH 651/4885

“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.