SCHEMBL3398358

SCHEMBL3398358

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
HTR2C P28335 4/20 0.47
TRPM8 Q7Z2W7 2/20 0.45
SMN1; SMN2 Q16637 5/20 0.41
ALDH1A1 P00352 4/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
HPGD P15428 2/20 0.41
PARP1 P09874 1/20 0.40
MEN1 O00255 1/20 0.39
KIFC1 Q9BW19 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL3399741 0.88 TRPM8 (0.50) KMT2AHTR2CTRPM8SMN1; SMN2ALDH1A1
SCHEMBL3400862 0.86 HTR2C (0.47) KMT2AHTR2CTRPM8SMN1; SMN2ALDH1A1
SCHEMBL3403618 0.86 TRPM8 (0.48) KMT2AHTR2CTRPM8SMN1; SMN2ALDH1A1
SCHEMBL3404304 0.86 KMT2A (0.61) KMT2AHTR2CTRPM8SMN1; SMN2ALDH1A1
SCHEMBL3404127 0.85 HTR2C (0.49) KMT2AHTR2CTRPM8SMN1; SMN2ALDH1A1
SCHEMBL3402390 0.84 HTR2C (0.46) KMT2AHTR2CTRPM8SMN1; SMN2ALDH1A1
SCHEMBL3404513 0.84 HTR2C (0.46) KMT2AHTR2CTRPM8SMN1; SMN2ALDH1A1
SCHEMBL3397100 0.84 HTR2C (0.46) KMT2AHTR2CTRPM8SMN1; SMN2ALDH1A1
SCHEMBL3405267 0.84 ALDH1A1 (0.63) KMT2AHTR2CTRPM8SMN1; SMN2ALDH1A1
SCHEMBL3405166 0.83 HTR2C (0.51) KMT2AHTR2CTRPM8SMN1; 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 KMT2A 890/4885HTR2C 416/4885TRPM8 455/4885

“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.