SCHEMBL3402779

SCHEMBL3402779

CCN(CC)CCN(C)C(=O)c1sc(-c2ccc(C(C)C)cc2)nc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TRPM8 Q7Z2W7 1/20 0.45
HTR2C P28335 3/20 0.44
SMN1; SMN2 Q16637 5/20 0.43
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
KDM4E B2RXH2 2/20 0.43
POLB P06746 1/20 0.43
GAA P10253 3/20 0.43
TARBP2 Q15633 1/20 0.42
PPARA Q07869 1/20 0.42
CDC7 O00311 1/20 0.40
DBF4 Q9UBU7 1/20 0.40
HPGD P15428 1/20 0.40
HDAC4 P56524 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 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
SCHEMBL13309741 0.89 RAB9A (0.56) ALDH1A1MAPTMEN1KMT2ATRPM8
SCHEMBL3405467 0.87 TRPM8 (0.47) ALDH1A1MAPTMEN1KMT2ATRPM8
SCHEMBL3404513 0.87 HTR2C (0.46) ALDH1A1MAPTMEN1KMT2ATRPM8
SCHEMBL3400834 0.86 TRPM8 (0.46) ALDH1A1MAPTMEN1KMT2ATRPM8
SCHEMBL3403876 0.86 KMT2A (0.45) ALDH1A1MAPTMEN1KMT2ATRPM8
SCHEMBL3400893 0.85 TRPM8 (0.46) ALDH1A1MAPTMEN1KMT2ATRPM8
SCHEMBL3404121 0.84 PPARA (0.48) ALDH1A1MAPTMEN1KMT2ATRPM8
SCHEMBL3400845 0.84 PPARA (0.51) ALDH1A1MAPTMEN1KMT2ATRPM8
SCHEMBL3405166 0.83 HTR2C (0.51) ALDH1A1MAPTMEN1KMT2ATRPM8
SCHEMBL3399849 0.83 TRPM8 (0.44) ALDH1A1MAPTMEN1KMT2ATRPM8

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 ALDH1A1 916/4885MAPT 342/4885MEN1 1347/4885

“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.