SCHEMBL3404364

SCHEMBL3404364

CCN(CC)CCN(CC)C(=O)c1sc(-c2ccc(C)c3ccccc23)nc1C

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 12/20 0.51
CD274 Q9NZQ7 1/20 0.39
NPC1 O15118 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 2/20 0.38
RAB9A P51151 2/20 0.38
MAPT P10636 1/20 0.38
LMNA P02545 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
HPGD P15428 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
SCHEMBL3402104 0.90 HTR2C (0.53) HTR2CCD274NPC1SMN1; SMN2ALDH1A1
SCHEMBL3396857 0.89 HTR2C (0.66) HTR2CCD274NPC1SMN1; SMN2ALDH1A1
SCHEMBL3403609 0.89 HTR2C (0.62) HTR2CNPC1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL3403924 0.84 HTR2C (0.47) HTR2CNPC1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL3401169 0.83 HTR2C (0.47) HTR2CNPC1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL3405368 0.82 CRHR1 (0.41) HTR2CNPC1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL3401776 0.82 HTR2C (0.45) HTR2CNPC1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL3400428 0.82 LMNA (0.39) HTR2CALDH1A1RAB9ALMNA
SCHEMBL3396985 0.82 PPARD (0.46) HTR2CNPC1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL3400911 0.80 ALDH1A1 (0.47) HTR2CCD274NPC1SMN1; 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 416/4885CD274 1650/4885NPC1 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.