SCHEMBL14738304

SCHEMBL14738304

NC(=NO)C1CC1C(=O)NCC1(c2nc(-c3ccccc3)cs2)CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 3/20 0.50
HDAC7 Q8WUI4 3/20 0.50
HDAC8 Q9BY41 3/20 0.50
HDAC6 Q9UBN7 3/20 0.50
HDAC9 Q9UKV0 3/20 0.50
HDAC5 Q9UQL6 3/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC3 O15379 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
KCNH2 Q12809 1/20 0.49
ALDH1A1 P00352 4/20 0.40
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 3/20 0.40
NPC1 O15118 1/20 0.36
ELOVL1 Q9BW60 1/20 0.36
GAA P10253 1/20 0.35
HTT P42858 2/20 0.35

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
SCHEMBL6975609 1.00 HDAC4 (0.50) HDAC4HDAC7HDAC8HDAC6HDAC9
SCHEMBL14738303 1.00 HDAC4 (0.50) HDAC4HDAC7HDAC8HDAC6HDAC9
SCHEMBL6976553 0.82 HDAC4 (0.51) HDAC4HDAC7HDAC8HDAC6HDAC9
SCHEMBL14739260 0.80 HDAC4 (0.55) HDAC4HDAC7HDAC8HDAC6HDAC9
SCHEMBL14739258 0.80 HDAC4 (0.55) HDAC4HDAC7HDAC8HDAC6HDAC9
SCHEMBL2274814 0.80 KCNH2 (0.52) HDAC4HDAC7HDAC8HDAC6HDAC9
SCHEMBL12517327 0.80 KCNH2 (0.52) HDAC4HDAC7HDAC8HDAC6HDAC9
SCHEMBL2274812 0.80 KCNH2 (0.52) HDAC4HDAC7HDAC8HDAC6HDAC9
SCHEMBL6977128 0.79 HDAC4 (0.67) HDAC4HDAC7HDAC8HDAC6HDAC9
SCHEMBL14738555 0.79 HDAC4 (0.67) HDAC4HDAC7HDAC8HDAC6HDAC9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2533783-B1 COMPOUNDS AND METHODS for the inhibition of HDAC TEMPERO PHARMACEUTICALS INC (US) 2015-11-04 EP disclosed
US-20150038534-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2015-02-05 US disclosed
US-8901156-B2 Compounds and methods TEMPERO PHARMACEUTICALS, INC. (US) 2014-12-02 US disclosed
US-20130059883-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2013-03-07 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-20150038534-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY HDAC4 1441/4885HDAC7 1956/4885HDAC8 1583/4885
US-20130059883-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY HDAC4 1441/4885HDAC7 1956/4885HDAC8 1583/4885

“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.