SCHEMBL3405451

SCHEMBL3405451

CCN(CC)CCN(C)C(=O)c1sc(-c2cc(OC)c(OC)c(OC)c2)nc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.43
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HSD17B10 Q99714 2/20 0.40
POLB P06746 1/20 0.40
ALOX15 P16050 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
THPO P40225 1/20 0.39
MTOR P42345 1/20 0.39
MEN1 O00255 1/20 0.39
PMP22 Q01453 1/20 0.39
KMT2A Q03164 1/20 0.39
UBE2N P61088 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
ABCC1 P33527 3/20 0.38

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
SCHEMBL3405734 0.88 PPARD (0.46) HTR2CLMNAMAPTKDM4EALDH1A1
SCHEMBL3399752 0.85 HTR2C (0.44) HTR2CLMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL3405714 0.84 HTR2C (0.45) HTR2CMAPTKDM4EALDH1A1HPGD
SCHEMBL3404884 0.84 HTR2C (0.43) HTR2CMAPTALDH1A1SMN1; SMN2TRPM8
SCHEMBL3402536 0.83 HTR2C (0.52) HTR2CLMNAMAPTKDM4EALDH1A1
SCHEMBL3404121 0.83 PPARA (0.48) HTR2CLMNAMAPTKDM4EALDH1A1
SCHEMBL3399563 0.82 HTR2C (0.43) HTR2CMAPTKDM4EALDH1A1HPGD
SCHEMBL3404493 0.82 KMT2A (0.44) HTR2CMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL3405160 0.82 HTR2C (0.45) HTR2CLMNAMAPTKDM4EALDH1A1
SCHEMBL3404127 0.82 HTR2C (0.49) HTR2CLMNAMAPTKDM4EALDH1A1

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 416/4885LMNA 4548/4885MAPT 342/4885

“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.