SCHEMBL2947864

SCHEMBL2947864

CC(C)(C)OC(=O)COc1ccc([N+](=O)[O-])cc1C#N

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
TP53 P04637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
RECQL P46063 1/20 0.44
VCAM1 P19320 1/20 0.44
GLA P06280 1/20 0.43
ALDH1A1 P00352 7/20 0.42
MAPT P10636 5/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GAA P10253 2/20 0.41
AAK1 Q2M2I8 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 1/20 0.39
TSHR P16473 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
SCHEMBL8770708 0.85 PTGDR2 (0.47) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL13744761 0.82 PTGDR2 (0.60) LMNARECQLVCAM1GLAALDH1A1
SCHEMBL6984076 0.81 MAPT (0.59) LMNANPC1RAB9AALDH1A1MAPT
SCHEMBL12838161 0.81 KMT2A (0.49) NPC1RAB9AALDH1A1MAPTMEN1
SCHEMBL13623312 0.81 PTGDR2 (0.44) LMNARAB9AALDH1A1MAPTMEN1
SCHEMBL8770253 0.81 S1PR4 (0.49) LMNARAB9AALDH1A1MAPTMEN1
SCHEMBL13665112 0.81 HSD17B10 (0.51) NPC1RAB9ATP53HSD17B10GLA
SCHEMBL7429642 0.81 MAPT (0.42) LMNARAB9ARECQLVCAM1GLA
SCHEMBL30188569 0.80 AAK1 (0.59) NPC1RAB9ATP53HSD17B10GLA
SCHEMBL6213275 0.80 NPC1 (0.47) NPC1RAB9ATP53HSD17B10PTGDR2

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-1489078-B1 BENZOFURAN DERIVATIVE MITSUBISHI TANABE PHARMA CORP (JP) 2010-01-06 EP disclosed
US-7605158-B2 Carbamoyl-type benzofuran derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-10-20 US disclosed
US-7605158-B2 Carbamoyl-type benzofuran derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-10-20 US disclosed
US-20090209511-A1 Benzofuran Derivatives KAWAGUCHI TAKAYUKI 2009-08-20 US disclosed
US-20090209511-A1 Benzofuran Derivatives KAWAGUCHI TAKAYUKI 2009-08-20 US disclosed
US-7531537-B2 Benzofuran derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-05-12 US disclosed
US-20060247273-A1 Carbamoyl-type benzofuran derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2006-11-02 US disclosed
EP-1666478-A1 CARBAMOYL-TYPE BENZOFURAN DERIVATIVES TANABE SEIYAKU CO., LTD. (JP) 2006-06-07 EP disclosed
US-20050282808-A1 Benzofuran derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2005-12-22 US disclosed
EP-1489078-A1 BENZOFURAN DERIVATIVE Tanabe Seiyaku Co., Ltd. (JP) 2004-12-22 EP 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-20050282808-A1 Benzofuran derivative F12, F2, F11 LMNA 3104/4885NPC1 3519/4885RAB9A 4616/4885
US-20060247273-A1 Carbamoyl-type benzofuran derivatives F12, F2, F3 LMNA 3286/4885NPC1 3578/4885RAB9A 2276/4885
US-20090209511-A1 Benzofuran Derivatives F12, F2, F3 LMNA 2928/4885NPC1 3431/4885RAB9A 4600/4885

“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.