SCHEMBL10197642

SCHEMBL10197642

O=C(NO)C1CCc2ccc(OCc3ccccc3)cc2C1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 11/20 0.58
MMP1 P03956 2/20 0.52
MMP2 P08253 2/20 0.52
MMP7 P09237 2/20 0.52
MMP9 P14780 2/20 0.52
MMP12 P39900 2/20 0.52
MMP14 P50281 2/20 0.52
MMP15 P51511 2/20 0.52
MMP16 P51512 2/20 0.52
MMP26 Q9NRE1 2/20 0.52
HRH3 Q9Y5N1 4/20 0.51
CYP2D6 P10635 3/20 0.49
HRH1 P35367 1/20 0.49

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
SCHEMBL436441 0.94 FAAH (0.52) FAAHMMP1MMP2MMP7MMP9
SCHEMBL461276 0.91 CA1 (0.52) FAAH
SCHEMBL461680 0.89 HDAC4 (0.58) FAAHMMP1MMP2MMP7MMP9
SCHEMBL346775 0.89 FAAH (0.51) FAAHMMP1
SCHEMBL9022793 0.86 FAAH (0.63) FAAHHRH3
SCHEMBL6747894 0.83 FAAH (0.68) FAAHHRH3CYP2D6
SCHEMBL10197645 0.83 FAAH (0.54) FAAH
SCHEMBL8769199 0.81 FAAH (0.69) FAAHHRH3
SCHEMBL346315 0.81 FAAH (0.58) FAAH
SCHEMBL346576 0.81 GRIN2B (0.44) MMP1MMP2MMP7MMP9MMP12

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
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 FAAH 1791/4885MMP1 137/4885MMP2 291/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 FAAH 651/4885MMP1 317/4885MMP2 698/4885

“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.