Sugi Predict

Sugi Predict / Compounds / SCHEMBL10249826

SCHEMBL10249826

SCHEMBL10249826

CN(C)CCOc1cccc(C2CCc3cc(C(=O)NO)ccc3C2)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 4/20 0.51
▸ PRMT5 O14744 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ HDAC3 O15379 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ SMPD1 P17405 3/20 0.42
▸ MMP2 P08253 1/20 0.41
▸ MMP3 P08254 1/20 0.41
▸ ESR1 P03372 1/20 0.41
▸ HDAC8 Q9BY41 3/20 0.40
▸ CHRNB2 P17787 1/20 0.40
▸ CHRNA4 P43681 1/20 0.40
▸ HSP90B1 P14625 1/20 0.39
▸ TRAP1 Q12931 1/20 0.39

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
SCHEMBL356646 0.96 HDAC6 (0.51) HDAC6PRMT5KDM4EALDH1A1LMNA
SCHEMBL355402 0.86 HDAC6 (0.42) HDAC6PRMT5KDM4EALDH1A1LMNA
SCHEMBL10249756 0.84 HDAC8 (0.50) HDAC6ALDH1A1HDAC3HDAC1HDAC2
SCHEMBL10247084 0.81 MCHR1 (0.43) HDAC6HDAC1HDAC8
SCHEMBL10247177 0.80 SMPD1 (0.58) HDAC6HDAC1SMPD1HDAC8
SCHEMBL10247127 0.80 HDAC8 (0.50) HDAC6HDAC1HDAC8
SCHEMBL10246985 0.77 HDAC8 (0.46) HDAC6HDAC1HDAC8
SCHEMBL10246917 0.77 HDAC6 (0.51) HDAC6HDAC1HDAC8
SCHEMBL10247189 0.77 SMPD1 (0.58) HDAC6HDAC1SMPD1HDAC8
SCHEMBL10247314 0.77 HDAC8 (0.44) HDAC6MMP2HDAC8

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 HDAC6 1/4885PRMT5 696/4885KDM4E 668/4885
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 HDAC6 1/4885PRMT5 458/4885KDM4E 597/4885

“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.