SCHEMBL460936

SCHEMBL460936

O=C(NO)C1CCc2ccc(Oc3cccc(NS(=O)(=O)C4CCNCC4)c3)cc2C1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FAAH O00519 8/20 0.39
RAF1 P04049 6/20 0.36
BRAF P15056 6/20 0.36
ADRB3 P13945 1/20 0.35
HDAC4 P56524 1/20 0.35
F10 P00742 2/20 0.35
GAK O14976 1/20 0.35
STK16 O75716 1/20 0.35
AAK1 Q2M2I8 1/20 0.35
BMP2K Q9NSY1 1/20 0.35
MMP12 P39900 1/20 0.35

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
SCHEMBL459415 0.85 FAAH (0.43) FAAHRAF1BRAF
SCHEMBL459960 0.81 FAAH (0.48) FAAH
SCHEMBL345816 0.80 FAAH (0.44) FAAHRAF1BRAF
SCHEMBL345624 0.80 MTNR1A (0.51) RAF1BRAF
SCHEMBL346082 0.80 MMP3 (0.40) FAAHRAF1BRAFF10
SCHEMBL10197674 0.79 RAF1 (0.47) FAAHRAF1BRAFADRB3
SCHEMBL10197649 0.79 ADRB3 (0.49) FAAHADRB3MMP12
SCHEMBL10197645 0.78 FAAH (0.54) FAAH
SCHEMBL344637 0.78 BRAF (0.47) FAAHRAF1BRAF
SCHEMBL346594 0.76 FFAR1 (0.48) FAAHRAF1BRAFHDAC4

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 5 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
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 1791/4885RAF1 3360/4885BRAF 3601/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 FAAH 651/4885RAF1 4055/4885BRAF 4293/4885

“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.