SCHEMBL3400845

SCHEMBL3400845

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.51
PPARG P37231 1/20 0.48
PPARD Q03181 1/20 0.48
GAA P10253 3/20 0.46
NPC1 O15118 3/20 0.46
ALDH1A1 P00352 2/20 0.46
TRPM8 Q7Z2W7 1/20 0.45
HTR2C P28335 3/20 0.44
MAPT P10636 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
RAB9A P51151 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HDAC4 P56524 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
CDC7 O00311 1/20 0.40

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) PPARAGAANPC1ALDH1A1TRPM8
SCHEMBL3405467 0.87 TRPM8 (0.47) PPARAGAANPC1ALDH1A1TRPM8
SCHEMBL3400834 0.86 TRPM8 (0.46) PPARAGAANPC1ALDH1A1TRPM8
SCHEMBL3400893 0.85 TRPM8 (0.46) PPARAGAANPC1ALDH1A1TRPM8
SCHEMBL3404121 0.84 PPARA (0.48) PPARAGAAALDH1A1TRPM8HTR2C
SCHEMBL3402779 0.84 ALDH1A1 (0.46) PPARAGAANPC1ALDH1A1TRPM8
SCHEMBL3401033 0.83 TARBP2 (0.49) PPARAGAANPC1ALDH1A1TRPM8
SCHEMBL3399849 0.83 TRPM8 (0.44) PPARAGAANPC1ALDH1A1TRPM8
SCHEMBL13309748 0.83 TRPM8 (0.44) PPARAGAANPC1ALDH1A1TRPM8
SCHEMBL3400771 0.83 HTR2C (0.45) PPARAGAANPC1ALDH1A1TRPM8

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 PPARA 492/4885PPARG 454/4885PPARD 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.