SCHEMBL3400541

SCHEMBL3400541

CC(=O)c1cccc(-c2nc(C)c(C(=O)NCCN3CCCC3)s2)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.48
NPC1 O15118 1/20 0.48
SMYD2 Q9NRG4 1/20 0.48
MAP4K4 O95819 1/20 0.47
ERN1 O75460 1/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
PPARA Q07869 4/20 0.46
PPARD Q03181 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
CHRM4 P08173 1/20 0.45
ROCK2 O75116 1/20 0.45
ALDH1A1 P00352 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
ATR Q13535 2/20 0.45

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
SCHEMBL3398623 0.93 SMYD2 (0.52) HPGDNPC1SMYD2KMT2APPARA
SCHEMBL3403279 0.89 NPC1 (0.47) HPGDNPC1SMYD2MAP4K4ERN1
SCHEMBL3403441 0.88 NPSR1 (0.51) HPGDNPC1KMT2AMEN1SMN1; SMN2
SCHEMBL3405815 0.86 MAPT (0.52) HPGDNPC1SMYD2MAPT
SCHEMBL3402472 0.85 HPGD (0.47) HPGDNPC1SMYD2MAP4K4KMT2A
SCHEMBL3404196 0.85 ALDH1A1 (0.60) HPGDNPC1KMT2AMEN1PPARA
SCHEMBL13309646 0.85 HPGD (0.47) HPGDNPC1KMT2AMEN1PPARA
SCHEMBL3405410 0.85 HPGD (0.47) HPGDNPC1ERN1KMT2AMEN1
SCHEMBL3402412 0.84 ACKR3 (0.53) HPGDNPC1PPARAPPARDCHRM4
SCHEMBL3399919 0.84 HPGD (0.46) HPGDNPC1KMT2AMEN1PPARA

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 HPGD 1057/4885NPC1 2005/4885SMYD2 3691/4885

“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.