SCHEMBL345603

SCHEMBL345603

CN(C)C(=O)c1ccc(-c2ccc3c(c2)CC(C(=O)NO)CC3)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 2/20 0.41
ADRB3 P13945 2/20 0.41
ACHE P22303 4/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
GHSR Q92847 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
LRRK2 Q5S007 1/20 0.35
LIPC P11150 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
MLLT3 P42568 2/20 0.35
MLLT1 Q03111 2/20 0.35
MET P08581 1/20 0.35
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
PIK3CA P42336 2/20 0.33
MTOR P42345 2/20 0.33
RAF1 P04049 1/20 0.33
BRAF P15056 1/20 0.33
FASN P49327 1/20 0.33

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
SCHEMBL435848 0.85 ALDH1A1 (0.43) ADRB1ADRB3ACHECA1CA2
SCHEMBL10259728 0.81 KCNH2 (0.47) ADRB1ADRB3
SCHEMBL438436 0.80 TDP2 (0.44) ADRB3HDAC8FAAH
SCHEMBL436855 0.79 GHSR (0.46) ADRB3ACHECA1CA2GHSR
SCHEMBL435997 0.78 HDAC8 (0.48) ADRB1ADRB3HDAC8HDAC6
SCHEMBL10260016 0.76 FAAH (0.51) ADRB1ADRB3GHSRHDAC8HDAC6
SCHEMBL10259280 0.76 HDAC8 (0.39) ADRB1ADRB3HDAC8HDAC6FAAH
SCHEMBL459626 0.76 MTNR1A (0.50) ACHECA1CA2FAAH
SCHEMBL435688 0.75 ADRB3 (0.47) ADRB1ADRB3CA1CA2HDAC8
SCHEMBL461008 0.75 ADRB1 (0.50) ADRB1ADRB3HDAC8RAF1BRAF

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
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
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 2139/4885ACHE 3602/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 ADRB1 1063/4885ADRB3 1184/4885ACHE 1149/4885

“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.