SCHEMBL3399358

SCHEMBL3399358

CCN(C)CCN(CC)C(=O)c1sc(-c2cccc(SC)c2)nc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
MAPT P10636 5/20 0.43
L3MBTL1 Q9Y468 4/20 0.43
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 5/20 0.40
NPC1 O15118 2/20 0.40
MEN1 O00255 1/20 0.40
RAB9A P51151 1/20 0.40
HPGD P15428 2/20 0.39
HTR2C P28335 3/20 0.39
TRPM8 Q7Z2W7 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
GAA P10253 1/20 0.38
NPY1R P25929 1/20 0.37
NPY2R P49146 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 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
SCHEMBL3403251 0.88 SMN1; SMN2 (0.46) ALDH1A1MAPTKMT2ASMN1; SMN2NPC1
SCHEMBL3401041 0.86 TRPM8 (0.53) ALDH1A1MAPTKMT2ASMN1; SMN2NPC1
SCHEMBL3404718 0.86 KMT2A (0.60) ALDH1A1MAPTL3MBTL1KMT2ASMN1; SMN2
SCHEMBL3402204 0.84 KMT2A (0.42) ALDH1A1MAPTKMT2ASMN1; SMN2NPC1
SCHEMBL3403592 0.83 ALDH1A1 (0.42) ALDH1A1MAPTKMT2ASMN1; SMN2NPC1
SCHEMBL3402390 0.83 HTR2C (0.46) ALDH1A1MAPTL3MBTL1KMT2ASMN1; SMN2
SCHEMBL3402129 0.82 HTR2C (0.43) ALDH1A1MAPTL3MBTL1KMT2ASMN1; SMN2
SCHEMBL3405333 0.82 RAB9A (0.40) ALDH1A1MAPTKMT2ASMN1; SMN2NPC1
SCHEMBL3404830 0.81 ALDH1A1 (0.44) ALDH1A1MAPTKMT2ASMN1; SMN2NPC1
SCHEMBL3404055 0.81 RAB9A (0.42) ALDH1A1MAPTL3MBTL1KMT2ASMN1; SMN2

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 342/4885L3MBTL1 2686/4885

“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.