SCHEMBL3401487

SCHEMBL3401487

CCN(CC)CCN(C)C(=O)c1sc(-c2ccccc2C(F)(F)F)nc1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.55
PPARA Q07869 2/20 0.48
PPARD Q03181 1/20 0.48
RAB9A P51151 2/20 0.46
HDAC4 P56524 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
TRPM8 Q7Z2W7 2/20 0.41
ALDH1A1 P00352 3/20 0.40
NPC1 O15118 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 1/20 0.40
ACHE P22303 1/20 0.39
GAA P10253 1/20 0.37
CDC7 O00311 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
DBF4 Q9UBU7 1/20 0.37
HPGD P15428 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
SCHEMBL3396985 0.89 PPARD (0.46) HTR2CPPARAPPARDRAB9AALDH1A1
SCHEMBL3399658 0.86 HTR2C (0.58) HTR2CRAB9ATRPM8ALDH1A1NPC1
SCHEMBL3401263 0.85 HTR2C (0.57) HTR2CRAB9ATRPM8ALDH1A1NPC1
SCHEMBL3405420 0.84 HTR2C (0.78) HTR2CRAB9ATRPM8ALDH1A1NPC1
SCHEMBL3402422 0.83 HTR2C (0.55) HTR2CRAB9ATRPM8ALDH1A1NPC1
SCHEMBL3405494 0.83 HTR2C (0.55) HTR2CPPARARAB9AHDAC4HDAC2
SCHEMBL3398602 0.83 HTR2C (0.57) HTR2CRAB9ATRPM8ALDH1A1NPC1
SCHEMBL3402273 0.82 HTR2C (0.54) HTR2CRAB9ATRPM8ALDH1A1NPC1
SCHEMBL3398874 0.82 PPARD (0.56) PPARAPPARDHDAC4HDAC2HDAC8
SCHEMBL3403609 0.82 HTR2C (0.62) HTR2CRAB9ATRPM8ALDH1A1NPC1

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 416/4885PPARA 492/4885PPARD 526/4885

“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.