SCHEMBL3404382

SCHEMBL3404382

Cc1nc(-c2c(F)cccc2F)sc1C(=O)NCCN(C(C)C)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.45
NPC1 O15118 2/20 0.45
ALDH1A1 P00352 5/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SCN3A Q9NY46 1/20 0.43
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 3/20 0.41
NPSR1 Q6W5P4 1/20 0.40
SCD O00767 2/20 0.39
PPARD Q03181 1/20 0.39
KDM4E B2RXH2 2/20 0.39
PPARA Q07869 1/20 0.39
PKM P14618 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL3401216 0.87 GAA (0.41) HPGDNPC1ALDH1A1SMN1; SMN2MEN1
SCHEMBL3400908 0.83 PPARA (0.52) HPGDNPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL3402647 0.82 NPC1 (0.40) HPGDNPC1ALDH1A1SMN1; SMN2MEN1
SCHEMBL3400114 0.80 PANK3 (0.50) HPGDNPC1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL3403588 0.80 PPARA (0.55) HPGDNPC1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL3403688 0.80 SMN1; SMN2 (0.54) HPGDNPC1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL3400054 0.80 HPGD (0.46) HPGDNPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL3402994 0.79 GAA (0.63) HPGDNPC1ALDH1A1SMN1; SMN2MEN1
SCHEMBL3402676 0.77 PARP1 (0.46) HPGDNPC1ALDH1A1MEN1KMT2A
SCHEMBL3402635 0.77 MEN1 (0.47) HPGDNPC1MEN1KMT2AMAPT

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 6 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
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 2005/4885ALDH1A1 916/4885

“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.