SCHEMBL4201818

SCHEMBL4201818

Cc1cc(C)c(NC(=O)OCc2ccccc2)c(C)c1N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.51
MAOA P21397 1/20 0.50
MGLL Q99685 1/20 0.48
POLB P06746 1/20 0.47
CASP3 P42574 1/20 0.47
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL16088310 0.85 NPC1 (0.61) NPC1RAB9ASMN1; SMN2MAOAMGLL
SCHEMBL3041603 0.83 NPC1 (0.58) NPC1RAB9ASMN1; SMN2MAOAMGLL
SCHEMBL28564954 0.82 NPC1 (0.64) NPC1RAB9ASMN1; SMN2MAOAMGLL
SCHEMBL17997751 0.77 NPC1 (0.58) NPC1RAB9ASMN1; SMN2MAOAMGLL
SCHEMBL7165686 0.76 RAB9A (0.57) NPC1RAB9ASMN1; SMN2MAOAMGLL
SCHEMBL6067806 0.76 NPC1 (0.64) NPC1RAB9ASMN1; SMN2MAOAMGLL
SCHEMBL26960329 0.76 NPC1 (0.60) NPC1RAB9ASMN1; SMN2MAOAMGLL
SCHEMBL5213739 0.76 NPC1 (0.60) NPC1RAB9ASMN1; SMN2MAOAMGLL
SCHEMBL4218396 0.76 NPC1 (0.68) NPC1RAB9ASMN1; SMN2MAOAMGLL
SCHEMBL5220382 0.75 NPC1 (0.58) NPC1RAB9ASMN1; SMN2MAOAMGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7488738-B2 Aminophenoxyacetic acid derivatives and pharmaceutical composition containing thereof ASUBIO PHARMA CO., LTD. (JP) 2009-02-10 US disclosed
EP-1228367-B1 AMINOPHENOXYACETAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITION CONTAINING THEREOF ASUBIO PHARMA CO LTD (JP) 2007-09-26 EP disclosed
US-20060178401-A1 Aminophenoxyacetamide derivatives and pharmaceutical composition containing thereof DAIICHI ASUBIO PHARMA CO., LTD. 2006-08-10 US disclosed
US-6998401-B2 Aminophenoxyacetic acid derivatives and pharmaceutical composition containing thereof SUNTORY LIMITED (JP) 2006-02-14 US disclosed
US-20050245574-A1 Aminophenoxyacetic acid derivatives and pharmaceutical composition containing thereof DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2005-11-03 US disclosed
EP-1045693-B1 AMINOPHENOXYACETIC ACID DERIVATIVES AS NEUROPROTECTANTS DAIICHI SUNTORY PHARMA CO LTD (JP) 2004-06-30 EP disclosed
US-20040063748-A1 Aminophenoxyacetic acid derivatives and pharmaceutical composition containing thereof ASUBIO PHARMA CO., LTD. (JP) 2004-04-01 US disclosed
US-20030139447-A1 Aminophenoxyacetamide derivatives and pharmaceutical composition containing thereof ASUBIO PHARMA CO., LTD. (JP) 2003-07-24 US disclosed
US-6559146-B1 Neuroprotective effects by inducing calbindin D28Kd, one of Ca2+-binding proteins SUNTORY LIMITED (JP) 2003-05-06 US disclosed
EP-1228367-A2 AMINOPHENOXYACETAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITION CONTAINING THEREOF SUNTORY LIMITED (JP) 2002-08-07 EP disclosed
WO-2001079170-A2 AMINOPHENOXYACETAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITION CONTAINING THEREOF SUNTORY LIMITED (JP) 2001-10-25 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 (4 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-20050245574-A1 Aminophenoxyacetic acid derivatives and pharmaceutical composition containing thereof CAMK2A, CAMK2B, SLC1A2 NPC1 4389/4885RAB9A 2079/4885SMN1; SMN2 3233/4885
US-20030139447-A1 Aminophenoxyacetamide derivatives and pharmaceutical composition containing thereof SCN10A, CAMK2A, CAMK2B NPC1 3518/4885RAB9A 3105/4885SMN1; SMN2 1127/4885
US-20040063748-A1 Aminophenoxyacetic acid derivatives and pharmaceutical composition containing thereof FABP7, SLC1A2, CAMK2A NPC1 4270/4885RAB9A 1698/4885SMN1; SMN2 3022/4885
US-20060178401-A1 Aminophenoxyacetamide derivatives and pharmaceutical composition containing thereof NR0B1, NR0B2, NR4A1 NPC1 2348/4885RAB9A 4060/4885SMN1; SMN2 1865/4885

“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.