SCHEMBL2407326

SCHEMBL2407326

COc1cc(C(=O)NO)ccc1C(C)NC(=O)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 8/20 0.46
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
HDAC1 Q13547 6/20 0.43
HDAC6 Q9UBN7 6/20 0.43
SMPD1 P17405 5/20 0.43
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
LMNA P02545 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL16048255 0.84 SMPD1 (0.46) HDAC8HDAC1HDAC6SMPD1LMNA
SCHEMBL12280414 0.83 HDAC6 (0.49) HDAC8HDAC1HDAC6
SCHEMBL2407874 0.83 HDAC6 (0.44) HDAC8HDAC1HDAC6
SCHEMBL6918744 0.77 ROCK2 (0.47) HDAC8CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2407257 0.76 HDAC6 (0.47) HDAC8CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL22838539 0.76 SMPD1 (0.53) HDAC8HDAC1HDAC6SMPD1
SCHEMBL2407270 0.76 HDAC11 (0.50) HDAC8HDAC6LMNAPKM
SCHEMBL2407949 0.75 HDAC6 (0.41) HDAC1HDAC6
SCHEMBL2406654 0.75 HDAC6 (0.56) HDAC8HDAC1HDAC6LMNAALDH1A1
SCHEMBL2413541 0.75 HDAC6 (0.56) HDAC8HDAC1HDAC6LMNAALDH1A1

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-9382197-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-07-05 US disclosed
US-9382197-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-07-05 US disclosed
US-20140275093-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-09-18 US disclosed
US-20140275093-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-09-18 US disclosed
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 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-20140275093-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC10, HDAC1 HDAC8 15/4885CYP1A2 1934/4885CYP3A4 2945/4885
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC10, HDAC1 HDAC8 15/4885CYP1A2 1934/4885CYP3A4 2945/4885

“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.