Sugi Predict

Sugi Predict / Compounds / SCHEMBL6977128

SCHEMBL6977128

SCHEMBL6977128

N/C(=N\O)c1cccc(C(=O)NCC2(c3nc(-c4ccccc4)cs3)CCOCC2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 4/20 0.67
▸ HDAC8 Q9BY41 4/20 0.67
▸ HDAC6 Q9UBN7 4/20 0.67
▸ HDAC7 Q8WUI4 3/20 0.67
▸ HDAC9 Q9UKV0 3/20 0.67
▸ HDAC5 Q9UQL6 3/20 0.67
▸ HDAC1 Q13547 2/20 0.67
▸ HDAC3 O15379 2/20 0.67
▸ HDAC2 Q92769 1/20 0.67
▸ HDAC10 Q969S8 1/20 0.67
▸ HDAC11 Q96DB2 1/20 0.67
▸ KCNH2 Q12809 1/20 0.59
▸ ALDH1A1 P00352 4/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ HTT P42858 3/20 0.39
▸ NR1H4 Q96RI1 1/20 0.39
▸ GAA P10253 2/20 0.38
▸ KCNA3 P22001 1/20 0.38
▸ ROCK2 O75116 1/20 0.37
▸ GRK2 P25098 1/20 0.37

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
SCHEMBL14738555 1.00 HDAC4 (0.67) HDAC4HDAC8HDAC6HDAC7HDAC9
SCHEMBL14738554 1.00 HDAC4 (0.67) HDAC4HDAC8HDAC6HDAC7HDAC9
SCHEMBL14739260 0.88 HDAC4 (0.55) HDAC4HDAC8HDAC6HDAC7HDAC9
SCHEMBL14739258 0.88 HDAC4 (0.55) HDAC4HDAC8HDAC6HDAC7HDAC9
SCHEMBL2229101 0.84 HDAC4 (0.67) HDAC4HDAC8HDAC6HDAC7HDAC9
SCHEMBL6976808 0.84 HDAC4 (0.50) HDAC4HDAC8HDAC6HDAC7HDAC9
SCHEMBL14738751 0.84 HDAC4 (0.50) HDAC4HDAC8HDAC6HDAC7HDAC9
SCHEMBL14752305 0.82 HDAC4 (0.78) HDAC4HDAC8HDAC6HDAC7HDAC9
SCHEMBL2228775 0.81 HDAC4 (0.77) HDAC4HDAC8HDAC6HDAC7HDAC9
SCHEMBL6974340 0.81 HDAC6 (0.76) HDAC4HDAC8HDAC6HDAC7HDAC9

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
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-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-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
US-20130059883-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2013-03-07 — — US disclosed
WO-2011088181-A9 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-31 — — WO disclosed
WO-2011088181-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 — — 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-20150038534-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY HDAC4 1441/4885HDAC8 1583/4885HDAC6 1474/4885
US-20130059883-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY HDAC4 1441/4885HDAC8 1583/4885HDAC6 1474/4885

“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.