SCHEMBL3404513

SCHEMBL3404513

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.46
TRPM8 Q7Z2W7 2/20 0.44
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 5/20 0.40
ALDH1A1 P00352 4/20 0.40
NPC1 O15118 2/20 0.40
HPGD P15428 2/20 0.40
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
MEN1 O00255 1/20 0.39
RAB9A P51151 1/20 0.39
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
ROCK1 Q13464 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 1/20 0.37
TSHR P16473 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
SCHEMBL3399741 0.87 TRPM8 (0.50) HTR2CTRPM8KMT2ASMN1; SMN2ALDH1A1
SCHEMBL3402779 0.87 ALDH1A1 (0.46) HTR2CTRPM8KMT2ASMN1; SMN2ALDH1A1
SCHEMBL3399991 0.86 HTR2C (0.45) HTR2CTRPM8KMT2ASMN1; SMN2ALDH1A1
SCHEMBL3403618 0.85 TRPM8 (0.48) HTR2CTRPM8KMT2ASMN1; SMN2ALDH1A1
SCHEMBL3404304 0.85 KMT2A (0.61) HTR2CTRPM8KMT2ASMN1; SMN2ALDH1A1
SCHEMBL3400862 0.85 HTR2C (0.47) HTR2CTRPM8KMT2ASMN1; SMN2ALDH1A1
SCHEMBL3398358 0.84 KMT2A (0.48) HTR2CTRPM8KMT2ASMN1; SMN2ALDH1A1
SCHEMBL3404127 0.84 HTR2C (0.49) HTR2CTRPM8KMT2ASMN1; SMN2ALDH1A1
SCHEMBL3405166 0.84 HTR2C (0.51) HTR2CTRPM8KMT2ASMN1; SMN2ALDH1A1
SCHEMBL3402390 0.84 HTR2C (0.46) HTR2CTRPM8KMT2ASMN1; SMN2ALDH1A1

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 455/4885KMT2A 890/4885

“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.