SCHEMBL2004664

SCHEMBL2004664

COCCCNC(=O)c1ccc2c(c1)NCCS2

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.57
ALDH1A1 P00352 3/20 0.55
GAA P10253 1/20 0.48
TP53 P04637 4/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
POLB P06746 2/20 0.44
NAMPT P43490 1/20 0.43
MAPT P10636 1/20 0.43
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL1997751 0.80 KMT2A (0.54) HPGDALDH1A1GAASMN1; SMN2NPSR1
SCHEMBL753087 0.79 ALDH1A1 (0.60) HPGDALDH1A1GAASMN1; SMN2MEN1
SCHEMBL29978912 0.79 ALDH1A1 (0.60) HPGDALDH1A1GAASMN1; SMN2MEN1
SCHEMBL1997553 0.78 HDAC1 (0.46) HPGDALDH1A1GAATP53NPSR1
SCHEMBL1997763 0.75 HDAC1 (0.46) HPGDALDH1A1GAAMEN1KMT2A
SCHEMBL2003685 0.73 MAPT (0.53) HPGDALDH1A1GAATP53SMN1; SMN2
SCHEMBL5507018 0.73 ALDH1A1 (0.44) HPGDALDH1A1GAATP53SMN1; SMN2
SCHEMBL2004423 0.73 POLB (0.66) HPGDALDH1A1GAATP53SMN1; SMN2
SCHEMBL2363066 0.72 ALDH1A1 (0.47) ALDH1A1GAAMEN1KMT2APOLB
SCHEMBL2002058 0.72 HPGD (0.48) HPGDALDH1A1GAAMEN1KMT2A

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 HPGD 291/4885ALDH1A1 1422/4885GAA 2326/4885

“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.