SCHEMBL3400463

SCHEMBL3400463

CCN(CC)CCCNC(=O)c1sc(-c2ccc(-c3ccc(OC)cc3)cc2)nc1C

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 7/20 0.54
▸ HPGD P15428 3/20 0.51
▸ NPC1 O15118 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.49
▸ MAPT P10636 4/20 0.49
▸ TP53 P04637 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ KMT2A Q03164 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ RAB9A P51151 1/20 0.46
▸ GAA P10253 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ GLA P06280 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ PPARD Q03181 3/20 0.46
▸ PPARG P37231 1/20 0.46

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
SCHEMBL3405796 0.91 ALDH1A1 (0.48) PPARAHPGDNPC1ALDH1A1MAPT
SCHEMBL3396720 0.84 MAPT (0.56) PPARAHPGDNPC1MAPTTP53
SCHEMBL3403000 0.82 NPC1 (0.50) PPARAHPGDNPC1MAPTTP53
SCHEMBL3404121 0.80 PPARA (0.48) PPARAALDH1A1MAPTLMNAKMT2A
SCHEMBL3404897 0.79 ACHE (0.54) PPARAALDH1A1MAPTTP53LMNA
SCHEMBL3398904 0.76 POLB (0.60) PPARAHPGDNPC1ALDH1A1MAPT
SCHEMBL3399977 0.76 TSHR (0.53) PPARAHPGDNPC1ALDH1A1MAPT
SCHEMBL10379918 0.76 NPC1 (0.70) HPGDNPC1ALDH1A1LMNAKMT2A
SCHEMBL3401069 0.76 MAPK1 (0.48) HPGDNPC1ALDH1A1MAPTTP53
SCHEMBL3405112 0.76 PPARD (0.54) PPARAHPGDNPC1ALDH1A1TP53

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 4 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

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 PPARA 492/4885HPGD 1057/4885NPC1 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.

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