SCHEMBL10197653

SCHEMBL10197653

O=C(NO)C1CCc2ccc(Oc3ccc(Cl)cc3)cc2C1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 4/20 0.46
ADRB1 P08588 1/20 0.46
RAF1 P04049 4/20 0.44
BRAF P15056 4/20 0.44
HDAC8 Q9BY41 1/20 0.44
FAAH O00519 7/20 0.43
MMP2 P08253 2/20 0.42
MMP9 P14780 2/20 0.42
MMP1 P03956 1/20 0.42
MMP3 P08254 1/20 0.42
MMP12 P39900 2/20 0.42
MMP8 P22894 1/20 0.42
MMP14 P50281 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ACHE P22303 1/20 0.41

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
SCHEMBL10197649 0.89 ADRB3 (0.49) ADRB3ADRB1HDAC8FAAHMMP2
SCHEMBL10197645 0.89 FAAH (0.54) FAAHMMP8
SCHEMBL346158 0.89 HDAC1 (0.44) ADRB3ADRB1RAF1BRAF
SCHEMBL346830 0.86 FAAH (0.49) RAF1BRAFFAAH
SCHEMBL435907 0.85 FAAH (0.42) RAF1BRAFFAAHCA1CA2
SCHEMBL460177 0.84 FAAH (0.48) ADRB3FAAHMMP2MMP9MMP1
SCHEMBL15967913 0.84 RAF1 (0.45) RAF1BRAFFAAH
SCHEMBL461415 0.84 MTNR1A (0.54) RAF1BRAF
SCHEMBL10197685 0.84 FAAH (0.60) FAAH
SCHEMBL435688 0.83 ADRB3 (0.47) ADRB3ADRB1HDAC8FAAHMMP3

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 ADRB3 2139/4885ADRB1 2185/4885RAF1 3360/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 ADRB3 1184/4885ADRB1 1063/4885RAF1 4055/4885

“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.