SCHEMBL3400911

SCHEMBL3400911

CCN(CC)CCN(CC)C(=O)c1sc(-c2cccc(Cl)c2Cl)nc1C

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HTR2C P28335 7/20 0.45
CRHR1 P34998 6/20 0.45
CDC7 O00311 1/20 0.42
DBF4 Q9UBU7 1/20 0.42
CD274 Q9NZQ7 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
SCN3A Q9NY46 1/20 0.36

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
SCHEMBL3405498 0.89 HTR2C (0.55) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3401169 0.85 HTR2C (0.47) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3396857 0.84 HTR2C (0.66) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3403924 0.84 HTR2C (0.47) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3403957 0.82 PANK3 (0.46) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3401776 0.81 HTR2C (0.45) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3396985 0.81 PPARD (0.46) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3401263 0.81 HTR2C (0.57) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3404364 0.80 HTR2C (0.51) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3405368 0.79 CRHR1 (0.41) ALDH1A1MAPTNPC1RAB9ASMN1; 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 342/4885NPC1 2005/4885

“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.