SCHEMBL3400428

SCHEMBL3400428

CCN(CC)CCN(CC)C(=O)c1sc(-c2cc(F)ccc2C)nc1C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
HTR2C P28335 3/20 0.39
CRHR1 P34998 4/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HCRTR1 O43613 2/20 0.37
HCRTR2 O43614 2/20 0.37
ALDH1A1 P00352 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34

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
SCHEMBL13071984 0.91 HTR2C (0.40) HTR2CCRHR1HCRTR1HCRTR2ALDH1A1
SCHEMBL3404970 0.89 HTR2C (0.47) LMNAHTR2CMEN1KMT2AALDH1A1
SCHEMBL3405368 0.85 CRHR1 (0.41) HTR2CCRHR1MEN1KMT2AALDH1A1
SCHEMBL3400468 0.82 HTR2C (0.40) HTR2CCRHR1HCRTR1HCRTR2ALDH1A1
SCHEMBL3404364 0.82 HTR2C (0.51) LMNAHTR2CALDH1A1RAB9A
SCHEMBL3401198 0.81 HTR2C (0.47) LMNAHTR2CMEN1KMT2AALDH1A1
SCHEMBL3401169 0.81 HTR2C (0.47) HTR2CCRHR1MEN1KMT2AALDH1A1
SCHEMBL3402218 0.80 HTR2C (0.41) LMNAHTR2CCRHR1MEN1KMT2A
SCHEMBL3403924 0.79 HTR2C (0.47) HTR2CCRHR1MEN1KMT2AHCRTR1
SCHEMBL3396985 0.79 PPARD (0.46) HTR2CCRHR1HCRTR1HCRTR2ALDH1A1

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 LMNA 4548/4885HTR2C 416/4885CRHR1 341/4885

“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.