SCHEMBL346108

SCHEMBL346108

CC(C)N1CCC(NC(=O)c2cc(Oc3ccc4c(c3)CCC(C(=O)NO)C4)ccn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 3/20 0.46
BRAF P15056 3/20 0.46
KDR P35968 2/20 0.45
FAAH O00519 6/20 0.43
RIPK1 Q13546 5/20 0.42
HRH3 Q9Y5N1 2/20 0.41
TLR9 Q9NR96 1/20 0.41
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 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
SCHEMBL434456 0.78 BRAF (0.46) RAF1BRAFKDRFAAH
SCHEMBL346899 0.75 FAAH (0.54) FAAH
SCHEMBL10197660 0.73 BRAF (0.59) RAF1BRAFKDRFAAH
SCHEMBL15982329 0.71 FAAH (0.49) RAF1BRAFFAAH
SCHEMBL346830 0.71 FAAH (0.49) RAF1BRAFFAAH
SCHEMBL10197685 0.70 FAAH (0.60) FAAH
SCHEMBL345458 0.70 BRAF (0.64) RAF1BRAFKDRFAAH
SCHEMBL461378 0.70 BRAF (0.64) RAF1BRAFKDRFAAH
SCHEMBL6072418 0.69 KDR (0.47) RAF1BRAFKDRRIPK1
SCHEMBL10197705 0.69 NPC1 (0.59) BRAFFAAH

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 RAF1 3360/4885BRAF 3601/4885KDR 710/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 RAF1 4055/4885BRAF 4293/4885KDR 2753/4885

“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.