SCHEMBL1174479

SCHEMBL1174479

CC1(C)CN(C(=O)Cc2ccccc2)Cc2cc(C(=O)NO)sc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 11/20 0.48
HDAC6 Q9UBN7 5/20 0.48
HDAC10 Q969S8 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
NPC1 O15118 2/20 0.44
KMT2A Q03164 1/20 0.44
PRMT5 O14744 1/20 0.44
WDR77 Q9BQA1 1/20 0.44
NAMPT P43490 1/20 0.41
HSD11B1 P28845 1/20 0.41
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 1/20 0.39
TSHR P16473 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
SCHEMBL7789527 0.85 HDAC1 (0.47) HDAC1HDAC6HDAC10HDAC8HDAC3
SCHEMBL1174109 0.83 NAMPT (0.46) HDAC1HDAC6HDAC10HDAC8HDAC3
SCHEMBL7797186 0.80 HDAC6 (0.54) HDAC1HDAC6HDAC10HDAC8HDAC3
SCHEMBL7796730 0.79 HDAC6 (0.46) HDAC1HDAC6HDAC10HDAC8HDAC3
SCHEMBL7801235 0.78 HDAC1 (0.48) HDAC1HDAC6HDAC3HDAC4NAMPT
SCHEMBL7790576 0.78 HDAC1 (0.48) HDAC1HDAC6HDAC3HDAC4NAMPT
SCHEMBL7795317 0.78 HDAC1 (0.48) HDAC1HDAC6HDAC3HDAC4NAMPT
SCHEMBL1173834 0.77 ALDH1A1 (0.46) HDAC1HDAC6HDAC10HDAC8HDAC3
SCHEMBL7797158 0.77 HRH4 (0.56) HDAC1HDAC6HDAC10HDAC8HDAC3
SCHEMBL7790330 0.77 HDAC1 (0.47) HDAC1HDAC6HDAC10HDAC8HDAC3

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8624040-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-01-07 US claimed
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-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-11-06 US disclosed
US-8624040-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-01-07 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
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 HDAC1 3/4885HDAC6 1/4885HDAC10 13/4885
US-20110046157-A1 Substituted hydroxamic acids and uses thereof HDAC6, HDAC5, HDAC1 HDAC1 3/4885HDAC6 1/4885HDAC10 13/4885

“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.