SCHEMBL461008

SCHEMBL461008

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

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.50
ADRB3 P13945 1/20 0.50
HDAC8 Q9BY41 3/20 0.48
KIF11 P52732 1/20 0.41
RAF1 P04049 7/20 0.41
BRAF P15056 7/20 0.41
TDP2 O95551 1/20 0.40
MEN1 O00255 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL10197679 0.85 FAAH (0.44) ADRB3HDAC8
SCHEMBL10260016 0.84 FAAH (0.51) ADRB1ADRB3HDAC8
SCHEMBL435688 0.83 ADRB3 (0.47) ADRB1ADRB3HDAC8
SCHEMBL435888 0.82 FAAH (0.38) ADRB1ADRB3HDAC8BRAF
SCHEMBL459845 0.82 FAAH (0.49) ADRB1ADRB3HDAC8
SCHEMBL459626 0.81 MTNR1A (0.50)
SCHEMBL436855 0.80 GHSR (0.46) ADRB3HDAC8
SCHEMBL10265076 0.80 ABL1 (0.41) RAF1BRAF
SCHEMBL461542 0.80 FAAH (0.49)
SCHEMBL10265063 0.80 RAF1 (0.41) HDAC8RAF1BRAF

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 ADRB1 2185/4885ADRB3 2139/4885HDAC8 13/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 ADRB1 1063/4885ADRB3 1184/4885HDAC8 19/4885

“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.