SCHEMBL10247084

SCHEMBL10247084

CN(C)Cc1cccc(C2CCc3cc(C(=O)NO)ccc3C2)c1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.43
KCNH2 Q12809 2/20 0.43
HDAC1 Q13547 1/20 0.43
HTR2C P28335 1/20 0.43
HDAC8 Q9BY41 10/20 0.42
HDAC6 Q9UBN7 7/20 0.41
SGPL1 O95470 1/20 0.40
S1PR1 P21453 1/20 0.40

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
SCHEMBL10246985 0.96 HDAC8 (0.46) HDAC1HDAC8HDAC6
SCHEMBL10247172 0.88 HDAC6 (0.47) MCHR1KCNH2HDAC1HTR2CHDAC8
SCHEMBL15985074 0.86 HDAC8 (0.45) HDAC1HDAC8HDAC6
SCHEMBL10247097 0.84 HDAC6 (0.47) HDAC1HDAC8HDAC6
SCHEMBL10249826 0.81 HDAC6 (0.51) HDAC1HDAC8HDAC6
SCHEMBL10246917 0.81 HDAC6 (0.51) HDAC1HDAC8HDAC6SGPL1S1PR1
SCHEMBL10247314 0.81 HDAC8 (0.44) HDAC8HDAC6
SCHEMBL10249756 0.80 HDAC8 (0.50) HDAC1HDAC8HDAC6
SCHEMBL10253892 0.80 HDAC8 (0.47) HDAC8HDAC6
SCHEMBL10247116 0.79 RAB9A (0.46) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
WO-2012012322-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
US-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACUTICALS, INC. (US) 2012-01-19 US disclosed
US-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACUTICALS, 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-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 MCHR1 3318/4885KCNH2 3435/4885HDAC1 2/4885
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 MCHR1 2261/4885KCNH2 2773/4885HDAC1 2/4885

“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.