SCHEMBL2432870

SCHEMBL2432870

CCCNCc1nc2ccccc2o1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.56
NPC1 O15118 4/20 0.56
MAPT P10636 3/20 0.56
SMN1; SMN2 Q16637 4/20 0.51
TP53 P04637 3/20 0.51
LMNA P02545 1/20 0.51
LOXL2 Q9Y4K0 1/20 0.50
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
HTT P42858 1/20 0.44
GFER P55789 1/20 0.44
SLC40A1 Q9NP59 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
USP2 O75604 1/20 0.41
ELANE P08246 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 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
SCHEMBL5797959 0.84 RAB9A (0.56) RAB9ANPC1MAPTSMN1; SMN2TP53
SCHEMBL7336243 0.80 MAPT (0.63) RAB9ANPC1MAPTSMN1; SMN2TP53
SCHEMBL3798973 0.78 NPC1 (0.45) RAB9ANPC1MAPTSMN1; SMN2TP53
SCHEMBL31276277 0.78 MAPT (0.78) RAB9ANPC1MAPTSMN1; SMN2TP53
SCHEMBL1748040 0.78 MAPT (0.78) RAB9ANPC1MAPTSMN1; SMN2TP53
SCHEMBL31430627 0.77 NPC1 (0.56) RAB9ANPC1MAPTSMN1; SMN2TP53
SCHEMBL31276462 0.77 MAPT (0.70) RAB9ANPC1MAPTSMN1; SMN2TP53
SCHEMBL2621291 0.77 MAPT (0.70) RAB9ANPC1MAPTSMN1; SMN2TP53
SCHEMBL6902568 0.76 NPC1 (0.63) RAB9ANPC1MAPTSMN1; SMN2TP53
SCHEMBL18901151 0.76 NPC1 (0.63) RAB9ANPC1MAPTSMN1; SMN2TP53

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2157085-B1 Oxazole, derivatives of tetracyclines WYETH LLC (US) 2011-09-21 EP disclosed
EP-2157085-A1 Oxazole, derivatives of tetracyclines Wyeth a Corporation of the State of Delaware (US) 2010-02-24 EP disclosed
EP-1692117-B1 OXAZOLE DERIVATIVES OF TETRACYCLINES WYETH CORP (US) 2009-09-30 EP disclosed
US-20080177080-A1 OXAZOLE DERIVATIVES OF TETRACYCLINES WYETH (US) 2008-07-24 US disclosed
US-7365087-B2 Oxazole derivatives of tetracyclines WYETH (US) 2008-04-29 US disclosed
US-20080064667-A1 OXAZOLE DERIVATIVES OF TETRACYCLINES WYETH (US) 2008-03-13 US disclosed
US-7176225-B2 Oxazole derivatives of tetracyclines WYETH (US) 2007-02-13 US disclosed
EP-1692117-A1 OXAZOLE DERIVATIVES OF TETRACYCLINES Wyeth (US) 2006-08-23 EP disclosed
US-20050153944-A1 For example, (6aR,7aS,8S,11aS)-5,8-bis(dimethylamino)-2-(2,2-diphenylvinyl)-9,11a,12-trihydroxy-11,13-dioxo-6,6a,7,7a,8,11,11a,13-octahydrotetraceno[2,1-d][1,3]oxazole-10-carboxamide; useful against antibiotic resistant organisms WYETH (US) 2005-07-14 US disclosed
WO-2005056538-A1 OXAZOLE DERIVATIVES OF TETRACYCLINES WYETH (US) 2005-06-23 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 (3 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-20080064667-A1 OXAZOLE DERIVATIVES OF TETRACYCLINES OXA1L, CXXC5, TET3 RAB9A 3758/4885NPC1 4513/4885MAPT 2552/4885
US-20050153944-A1 For example, (6aR,7aS,8S,11aS)-5,8-bis(dimethylamino)-2-(2,2-diphenylvinyl)-9,11a,12-trihydroxy-11,13-dioxo-6,6a,7,7a,8,11,11a,13-octahydrotetraceno[2,1-d][1,3]oxazole-10-carboxamide; useful against antibiotic resistant organisms DHRS9, SPOUT1, DAO RAB9A 1055/4885NPC1 3424/4885MAPT 4545/4885
US-20080177080-A1 OXAZOLE DERIVATIVES OF TETRACYCLINES OXA1L, CXXC5, TET3 RAB9A 3758/4885NPC1 4513/4885MAPT 2552/4885

“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.