SCHEMBL3400942

SCHEMBL3400942

CCN(CC)CCN(C)C(=O)c1sc(-c2cc(C)c(C)cc2C)nc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.49
TRPM8 Q7Z2W7 1/20 0.37
PARP1 P09874 1/20 0.36
HDAC4 P56524 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CRHR1 P34998 1/20 0.34
HPGD P15428 1/20 0.34
PPARA Q07869 1/20 0.34
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL3405368 0.88 CRHR1 (0.41) HTR2CNPC1ALDH1A1MAPTRAB9A
SCHEMBL3402386 0.87 HTR2C (0.49) HTR2CTRPM8PARP1HDAC4HDAC2
SCHEMBL3400343 0.85 HTR2C (0.47) HTR2CNPC1ALDH1A1MAPTRAB9A
SCHEMBL3401198 0.85 HTR2C (0.47) HTR2CTRPM8PARP1HDAC4HDAC2
SCHEMBL3404970 0.85 HTR2C (0.47) HTR2CTRPM8PARP1HDAC4HDAC2
SCHEMBL3400089 0.85 HTR2C (0.49) HTR2CNPC1ALDH1A1MAPTRAB9A
SCHEMBL3400771 0.84 HTR2C (0.45) HTR2CTRPM8HDAC4HDAC2HDAC8
SCHEMBL3396821 0.83 HTR2C (0.44) HTR2CTRPM8PARP1RAB9ACRHR1
SCHEMBL3398602 0.83 HTR2C (0.57) HTR2CTRPM8PARP1NPC1ALDH1A1
SCHEMBL3405714 0.82 HTR2C (0.45) HTR2CTRPM8HDAC4HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100297035-A1 Thiazole Amides, Imidazole Amides and Related Analogues LIGAND PHARMACEUTICALS, INC. (US) 2010-11-25 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
WO-2006089076-A9 THIAZOLE AMIDES, IMIDAZOLE AMIDES AND RELATED ANALOGUES NEUROGEN CORP (US) 2007-04-26 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-20100297035-A1 Thiazole Amides, Imidazole Amides and Related Analogues HRH3, HRH4, HRH2 HTR2C 416/4885TRPM8 455/4885PARP1 4836/4885

“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.