SCHEMBL3400291

SCHEMBL3400291

Cc1nc(-c2cc(Cl)ccc2Cl)sc1C(=O)NCCN(C(C)C)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 4/20 0.41
ALDH1A1 P00352 5/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 1/20 0.41
CHRM4 P08173 1/20 0.41
HPGD P15428 2/20 0.40
POLB P06746 2/20 0.40
KDM4E B2RXH2 2/20 0.40
SCN3A Q9NY46 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
AGPAT2 O15120 1/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL3399671 0.92 MAPT (0.47) GAASMN1; SMN2MAPTALDH1A1NPC1
SCHEMBL3403688 0.88 SMN1; SMN2 (0.54) GAASMN1; SMN2MAPTALDH1A1NPC1
SCHEMBL3398938 0.87 GAA (0.46) GAASMN1; SMN2MAPTALDH1A1NPC1
SCHEMBL3402994 0.85 GAA (0.63) GAASMN1; SMN2MAPTALDH1A1NPC1
SCHEMBL3400114 0.84 PANK3 (0.50) GAASMN1; SMN2MAPTALDH1A1NPC1
SCHEMBL3401069 0.83 MAPK1 (0.48) GAASMN1; SMN2MAPTALDH1A1NPC1
SCHEMBL3402647 0.80 NPC1 (0.40) GAASMN1; SMN2MAPTALDH1A1NPC1
SCHEMBL3400054 0.79 HPGD (0.46) GAASMN1; SMN2MAPTALDH1A1NPC1
SCHEMBL3398247 0.79 ALDH1A1 (0.48) GAASMN1; SMN2ALDH1A1CHRM4
SCHEMBL3405341 0.78 KDM4E (0.51) GAASMN1; SMN2MAPTALDH1A1NPC1

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 GAA 1659/4885SMN1; SMN2 1605/4885MAPT 342/4885

“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.