SCHEMBL436855

SCHEMBL436855

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.46
HDAC6 Q9UBN7 2/20 0.43
HDAC1 Q13547 1/20 0.43
MMP8 P22894 2/20 0.43
MMP3 P08254 1/20 0.43
HDAC8 Q9BY41 2/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
ACHE P22303 2/20 0.38
FAAH O00519 4/20 0.38
PNPLA2 Q96AD5 1/20 0.38
ADRB3 P13945 1/20 0.36
ADORA1 P30542 1/20 0.36
HDAC4 P56524 1/20 0.35
TP53 P04637 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
SCHEMBL346900 0.90 GHSR (0.46) GHSRHDAC6MMP8MMP3HDAC8
SCHEMBL10260016 0.84 FAAH (0.51) GHSRHDAC6HDAC1HDAC8FAAH
SCHEMBL459626 0.84 MTNR1A (0.50) CA1CA2ACHEFAAH
SCHEMBL435688 0.83 ADRB3 (0.47) HDAC6HDAC1MMP8MMP3HDAC8
SCHEMBL459845 0.82 FAAH (0.49) GHSRHDAC6HDAC1HDAC8FAAH
SCHEMBL10197679 0.82 FAAH (0.44) HDAC6HDAC1HDAC8FAAHADRB3
SCHEMBL461316 0.81 MCHR1 (0.45) GHSRHDAC8FAAHADRB3
SCHEMBL461008 0.80 ADRB1 (0.50) HDAC8ADRB3
SCHEMBL10265156 0.80 ABL1 (0.40) GHSRFAAHADRB3
SCHEMBL460142 0.80 NPY5R (0.47) ACHEFAAHADRB3

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 GHSR 1236/4885HDAC6 1/4885HDAC1 2/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 GHSR 2184/4885HDAC6 1/4885HDAC1 4/4885

“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.