SCHEMBL1997763

SCHEMBL1997763

CC(C)(C)NC(=O)c1ccc2c(c1)NCCS2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.45
IMPDH2 P12268 1/20 0.40
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
PRKAB2 O43741 1/20 0.39
PRKAG1 P54619 1/20 0.39
PRKAA2 P54646 1/20 0.39
PRKAA1 Q13131 1/20 0.39
PRKAG3 Q9UGI9 1/20 0.39
PRKAG2 Q9UGJ0 1/20 0.39
PRKAB1 Q9Y478 1/20 0.39
HPGD P15428 1/20 0.39
LMNA P02545 4/20 0.39
POLB P06746 2/20 0.39
MAPT P10636 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
SCHEMBL1997553 0.81 HDAC1 (0.46) HDAC1HDAC8HDAC6ALDH1A1KMT2A
SCHEMBL753087 0.79 ALDH1A1 (0.60) HDAC1HDAC8HDAC6ALDH1A1KMT2A
SCHEMBL29978912 0.79 ALDH1A1 (0.60) HDAC1HDAC8HDAC6ALDH1A1KMT2A
SCHEMBL2363066 0.78 ALDH1A1 (0.47) HDAC1HDAC8HDAC6ALDH1A1KMT2A
SCHEMBL1238568 0.78 HTT (0.56) HDAC1HDAC8HDAC6ALDH1A1KMT2A
SCHEMBL1997751 0.78 KMT2A (0.54) HDAC1HDAC8HDAC6ALDH1A1KMT2A
SCHEMBL1996452 0.76 L3MBTL1 (0.49) ALDH1A1KMT2AMEN1GAAHPGD
SCHEMBL2004664 0.75 HPGD (0.57) ALDH1A1KMT2AMEN1GAAHPGD
SCHEMBL4229021 0.74 FAAH (0.53) HDAC1HDAC8HDAC6KMT2AMEN1
SCHEMBL5507018 0.73 ALDH1A1 (0.44) HDAC1HDAC8HDAC6ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960376-B2 Benzo-fused heterocycles CARA THERAPEUTICS, INC. (US) 2011-06-14 US disclosed
US-7960376-B2 Benzo-fused heterocycles CARA THERAPEUTICS, INC. (US) 2011-06-14 US disclosed
US-7960376-B2 Benzo-fused heterocycles CARA THERAPEUTICS, INC. (US) 2011-06-14 US disclosed
US-20090075973-A1 BENZO-FUSED HETEROCYCLES CARA THERAPEUTICS, INC. (US) 2009-03-19 US disclosed
US-20090075973-A1 BENZO-FUSED HETEROCYCLES CARA THERAPEUTICS, INC. (US) 2009-03-19 US disclosed
US-20090075973-A1 BENZO-FUSED HETEROCYCLES CARA THERAPEUTICS, INC. (US) 2009-03-19 US disclosed
WO-2009035997-A2 BENZO-FUSED HETEROCYCLES CARA THERAPEUTICS, INC. (US) 2009-03-19 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 (1 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-20090075973-A1 BENZO-FUSED HETEROCYCLES CNR1, CNR2, TRPV1 HDAC1 271/4885HDAC8 617/4885HDAC6 639/4885

“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.