SCHEMBL461680

SCHEMBL461680

O=C(NO)C1CCc2ccc(-c3cccc(OCc4ccccc4)c3)cc2C1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.58
F10 P00742 3/20 0.51
SMPD1 P17405 2/20 0.48
FAAH O00519 7/20 0.48
JAK2 O60674 1/20 0.48
JAK1 P23458 1/20 0.48
ADAM17 P78536 3/20 0.46
MRGPRX4 Q96LA9 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP7 P09237 1/20 0.45
MMP9 P14780 1/20 0.45
MMP12 P39900 1/20 0.45
MMP14 P50281 1/20 0.45
MMP15 P51511 1/20 0.45
MMP16 P51512 1/20 0.45
MMP26 Q9NRE1 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
SCHEMBL461276 0.92 CA1 (0.52) HDAC4F10SMPD1FAAHCA1
SCHEMBL10197642 0.89 FAAH (0.58) FAAHMMP1MMP2MMP7MMP9
SCHEMBL345723 0.88 FAAH (0.53) HDAC4F10FAAHJAK2JAK1
SCHEMBL436441 0.88 FAAH (0.52) SMPD1FAAHMMP1MMP2MMP7
SCHEMBL461537 0.86 RXRA (0.47) HDAC4FAAHCA1CA2
SCHEMBL459845 0.83 FAAH (0.49) HDAC4FAAH
SCHEMBL10260016 0.83 FAAH (0.51) HDAC4FAAH
SCHEMBL10197736 0.83 HDAC1 (0.53) FAAHJAK2ADAM17CA1CA2
SCHEMBL346632 0.82 KDM4E (0.44) HDAC4FAAHMMP2
SCHEMBL10265404 0.81 SLC5A1 (0.40) HDAC4F10FAAHMMP2

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-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
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
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 HDAC4 8/4885F10 2340/4885SMPD1 2544/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 HDAC4 14/4885F10 1728/4885SMPD1 2291/4885

“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.