SCHEMBL436895

SCHEMBL436895

CNC(=O)c1cc(F)cc(-c2ccc3c(c2)CC(C(=O)NO)CC3)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 6/20 0.40
HDAC6 Q9UBN7 2/20 0.40
PIP5K1C O60331 6/20 0.38
PIK3CA P42336 5/20 0.38
BACE1 P56817 1/20 0.38
RAF1 P04049 3/20 0.37
BRAF P15056 3/20 0.37
MAP4K4 O95819 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
CRBN Q96SW2 1/20 0.34

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
SCHEMBL10260016 0.75 FAAH (0.51) HDAC8HDAC6
SCHEMBL435997 0.75 HDAC8 (0.48) HDAC8HDAC6
SCHEMBL436554 0.75 ABL1 (0.47) HDAC8HDAC6
SCHEMBL438436 0.75 TDP2 (0.44) HDAC8
SCHEMBL459626 0.75 MTNR1A (0.50) NPC1RAB9A
SCHEMBL435688 0.74 ADRB3 (0.47) HDAC8HDAC6
SCHEMBL433464 0.74 MAPK14 (0.49) HDAC8HDAC6NPC1RAB9A
SCHEMBL436855 0.74 GHSR (0.46) HDAC8HDAC6
SCHEMBL461008 0.74 ADRB1 (0.50) HDAC8RAF1BRAF
SCHEMBL10197679 0.73 FAAH (0.44) HDAC8HDAC6

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 HDAC8 13/4885HDAC6 1/4885PIP5K1C 2837/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 HDAC8 19/4885HDAC6 1/4885PIP5K1C 3380/4885

“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.