SCHEMBL3402422

SCHEMBL3402422

CCN(CC)CCN(C)C(=O)c1sc(-c2ccccc2C(C)C)nc1C

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.55
TRPM8 Q7Z2W7 3/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
NPC1 O15118 3/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
RAB9A P51151 2/20 0.40
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
HPGD P15428 1/20 0.37
UBE2M P61081 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36
GAA P10253 1/20 0.36
SCN5A Q14524 1/20 0.35
SCN9A Q15858 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL3401776 0.89 HTR2C (0.45) HTR2CTRPM8SMN1; SMN2NPC1ALDH1A1
SCHEMBL3399658 0.86 HTR2C (0.58) HTR2CTRPM8SMN1; SMN2NPC1ALDH1A1
SCHEMBL3401263 0.85 HTR2C (0.57) HTR2CTRPM8SMN1; SMN2NPC1ALDH1A1
SCHEMBL3402273 0.84 HTR2C (0.54) HTR2CTRPM8SMN1; SMN2NPC1ALDH1A1
SCHEMBL3405420 0.84 HTR2C (0.78) HTR2CTRPM8SMN1; SMN2NPC1ALDH1A1
SCHEMBL3401487 0.83 HTR2C (0.55) HTR2CTRPM8SMN1; SMN2NPC1ALDH1A1
SCHEMBL3398602 0.83 HTR2C (0.57) HTR2CTRPM8SMN1; SMN2NPC1ALDH1A1
SCHEMBL3402505 0.82 KMT2A (0.50) HTR2CSMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL3403609 0.82 HTR2C (0.62) HTR2CTRPM8SMN1; SMN2NPC1ALDH1A1
SCHEMBL3405494 0.81 HTR2C (0.55) HTR2CTRPM8SMN1; SMN2NPC1ALDH1A1

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 416/4885TRPM8 455/4885SMN1; SMN2 1605/4885

“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.