SCHEMBL7797154

SCHEMBL7797154

CC1(C(=O)N2Cc3cc(C(=O)NO)sc3C(C)(C)C2)CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 14/20 0.42
NAMPT P43490 2/20 0.34
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
PKM P14618 1/20 0.33
HDAC1 Q13547 1/20 0.32
GRM1 Q13255 1/20 0.31
KDM1A O60341 2/20 0.31
HDAC8 Q9BY41 1/20 0.31

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
SCHEMBL7796730 0.82 HDAC6 (0.46) HDAC6ALDH1A1HDAC1KDM1AHDAC8
SCHEMBL1174050 0.81 HDAC6 (0.62) HDAC6ALDH1A1POLBPKMKDM1A
SCHEMBL1173906 0.79 HDAC6 (0.62) HDAC6ALDH1A1POLBPKMKDM1A
SCHEMBL7799082 0.76 HDAC6 (0.38) HDAC6ALDH1A1POLBPKM
SCHEMBL1174569 0.75 HDAC6 (0.50) HDAC6ALDH1A1HDAC1
SCHEMBL1174439 0.74 HPGD (0.47) HDAC6ALDH1A1HDAC1HDAC8
SCHEMBL1174479 0.74 HDAC1 (0.48) HDAC6NAMPTALDH1A1HDAC1HDAC8
SCHEMBL7796732 0.73 NAMPT (0.40) HDAC6NAMPTALDH1A1
SCHEMBL7797186 0.73 HDAC6 (0.54) HDAC6ALDH1A1POLBHDAC1HDAC8
SCHEMBL7799029 0.73 NPC1 (0.52) HDAC6NAMPTPOLBPKMHDAC1

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-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-11-06 US disclosed
US-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-11-06 US disclosed
US-20110046157-A1 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-24 US disclosed
US-20110046157-A1 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-24 US disclosed
WO-2010151317-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-12-29 WO 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-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC5, HDAC1 HDAC6 1/4885NAMPT 1262/4885ALDH1A1 1220/4885
US-20110046157-A1 Substituted hydroxamic acids and uses thereof HDAC6, HDAC5, HDAC1 HDAC6 1/4885NAMPT 1262/4885ALDH1A1 1220/4885

“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.