SCHEMBL435888

SCHEMBL435888

CC(C)(C#N)c1ccc(-c2ccc3c(c2)CC(C(=O)NO)CC3)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 6/20 0.38
ADRB3 P13945 5/20 0.38
ADRB1 P08588 3/20 0.38
IDH1 O75874 1/20 0.37
DHODH Q02127 1/20 0.36
GHSR Q92847 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
KIT P10721 1/20 0.35
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
BRAF P15056 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL461008 0.82 ADRB1 (0.50) ADRB3ADRB1HDAC8BRAF
SCHEMBL10265076 0.80 ABL1 (0.41) FAAHGHSRBRAF
SCHEMBL10260016 0.80 FAAH (0.51) FAAHADRB3ADRB1GHSRHDAC8
SCHEMBL459626 0.79 MTNR1A (0.50) FAAHMMP1MMP2MMP9
SCHEMBL435688 0.78 ADRB3 (0.47) FAAHADRB3ADRB1HDAC8
SCHEMBL436855 0.78 GHSR (0.46) FAAHADRB3GHSRHDAC8
SCHEMBL10197679 0.77 FAAH (0.44) FAAHADRB3HDAC8MMP1MMP2
SCHEMBL459845 0.77 FAAH (0.49) FAAHADRB3ADRB1GHSRHDAC8
SCHEMBL10265063 0.77 RAF1 (0.41) GHSRHDAC8BRAF
SCHEMBL10259280 0.76 HDAC8 (0.39) FAAHADRB3ADRB1HDAC8

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 FAAH 1791/4885ADRB3 2139/4885ADRB1 2185/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 FAAH 651/4885ADRB3 1184/4885ADRB1 1063/4885

“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.